data_2mow_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 2mow _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 ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.852 0.358 . . . . 74.24 110.925 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -49.85 -26.05 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.24 110.851 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -49.85 -58.01 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.905 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.31 -50.5 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 71.34 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -55.3 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 71.22 110.886 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -48.55 -44.47 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 70.44 111.136 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.05 -49.8 65.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.14 111.067 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.5 m -56.97 -53.58 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 73.43 111.176 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -55.96 -52.36 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.957 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.68 -56.05 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.925 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -56.35 -31.67 63.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 72.31 110.86 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -62.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.848 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -56.68 -35.94 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 74.14 110.893 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.21 -22.05 26.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 63.53 110.888 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.925 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.814 0.34 . . . . 73.23 111.123 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -86.04 131.52 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.51 -34.82 64.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 74.32 112.448 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -48.67 -54.53 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 64.43 110.858 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -50.99 -54.92 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 74.24 110.893 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.7 mt -50.49 -45.43 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.084 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -55.67 -54.95 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.31 110.918 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -49.55 -50.06 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.857 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.49 -48.55 78.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 62.4 110.952 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -58.03 -70.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 73.23 111.101 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -42.73 -45.11 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.33 111.13 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -58.65 -55.05 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 63.3 110.961 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.08 -57.37 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 75.3 111.111 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.58 -46.43 84.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 72.53 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -56.05 -26.23 48.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 65.44 110.892 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -132.59 85.39 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.865 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.0 mm -77.69 -1.29 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.42 111.128 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.14 22.46 3.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.841 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.424 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.4 pt -150.81 29.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 70.42 111.135 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -33.44 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.924 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -59.48 -73.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 72.11 110.825 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.96 -47.23 21.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.87 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.7 mt -56.3 -72.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 73.12 111.192 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.9 mm -46.83 -46.37 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 64.3 111.149 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.7 m -58.1 -44.43 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 45.54 110.853 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.8 tp -56.7 -66.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.22 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 pt -47.33 -46.07 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 75.2 111.094 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.2 mt -55.33 -57.6 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 74.13 111.12 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -47.08 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 72.24 110.889 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 4.5 t80 -51.18 -40.3 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.923 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 t -65.92 -69.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 70.34 110.869 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -22.69 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 75.24 110.902 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 53' ' ' TYR . 5.6 mt -51.29 -78.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 64.23 110.917 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.64 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -89.43 169.26 13.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 62.2 110.916 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.9 Cg_endo -69.75 -158.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.246 . . . . 72.55 112.334 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' A' ' 58' ' ' PRO . 50.9 t0 -31.12 -50.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 75.53 110.917 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' ASP . 24.9 t -35.09 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.87 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.64 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 7.9 m170 -59.83 -39.37 84.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 63.13 110.833 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -43.58 -62.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.45 110.903 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.4 tp -57.47 -54.99 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.42 -64.57 3.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 71.32 112.513 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.79 -45.08 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 72.14 110.859 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -48.53 -53.98 16.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 72.42 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -56.1 -46.3 79.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.887 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.0 mt -56.76 -54.07 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 72.13 111.154 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mt -57.12 -37.11 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 73.35 111.113 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.75 -56.18 23.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 64.43 110.849 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.85 -55.4 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 61.22 110.87 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.5 mt -55.25 -46.95 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 75.41 111.15 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.29 -56.13 23.09 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 74.32 112.495 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -50.9 -57.43 8.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 53.33 110.874 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.62 -56.62 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 73.23 111.122 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -49.81 -52.2 34.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.93 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tp -50.25 -55.8 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 74.32 110.903 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.96 -43.54 73.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.868 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -55.85 -69.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.895 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 t -55.09 -41.38 71.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 65.42 111.12 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -54.75 -40.56 69.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.2 m -51.62 -29.72 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 60.52 110.837 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -107.43 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 74.54 110.885 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 p -176.86 114.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 65.02 110.839 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 71.22 110.864 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.844 0.268 . . . . 63.41 112.35 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.51 -40.45 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.799 -0.715 . . . . 54.41 112.528 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -166.34 -173.72 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 75.15 111.139 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.3 m -42.29 -53.65 4.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.854 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.96 -64.21 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 74.42 111.127 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -53.06 -37.5 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.907 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.57 -61.87 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 70.52 111.063 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.1 mt -53.12 -45.7 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 71.11 111.096 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -56.21 -50.93 69.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 71.52 110.909 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.4 m -55.15 -51.66 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 74.42 111.166 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.9 mt -54.15 -52.35 61.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.903 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.82 -15.76 28.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 72.13 112.452 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.93 -7.37 49.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 75.52 110.863 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.6 m -125.87 -14.37 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.116 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.3 tp -49.25 -30.09 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.03 111.143 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.414 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -51.79 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.912 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -55.27 -40.09 70.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.0 -69.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 71.41 110.91 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -51.87 -69.48 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.948 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 109' ' ' LEU . 77.9 p -34.85 -60.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.5 110.86 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -52.66 -53.11 51.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.863 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.69 -57.21 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 61.25 111.062 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.468 HD13 ' CD1' ' A' ' 150' ' ' PHE . 3.7 mt -55.67 -49.73 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 71.22 111.132 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.87 -66.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.31 111.118 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -25.87 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.92 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.8 m -79.17 157.19 27.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 44.5 110.853 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.41 -176.02 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.941 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 66.8 tt0 -38.05 -52.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.863 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.74 -74.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.862 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -45.76 -58.39 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.788 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.06 -38.38 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.936 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -62.01 -45.16 94.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 71.12 110.915 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -57.59 -49.18 77.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 61.4 mt -57.43 -49.9 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 73.42 111.128 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -50.59 -52.28 40.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.897 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.8 ttm -56.59 -51.53 68.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 55.2 110.892 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 18.5 tp -51.68 -46.28 63.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 74.01 110.952 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.433 HD13 ' CG1' ' A' ' 145' ' ' ILE . 0.8 OUTLIER -56.19 -47.9 77.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 72.15 110.937 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.45 -51.82 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.14 110.859 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.4 mt -56.78 -41.68 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.33 111.113 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 21.2 m0 -54.48 -58.71 6.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 74.02 110.933 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -54.87 -48.92 72.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 63.23 110.867 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -55.27 -56.51 19.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 73.1 110.877 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.832 -179.753 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.758 0.313 . . . . 65.44 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.433 ' CG1' HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -70.53 -20.37 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 74.11 111.168 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -38.09 -54.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.34 110.853 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 96.2 p -71.46 99.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 55.25 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -43.8 -26.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 73.41 110.878 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 5.5 m -46.98 -27.48 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 74.5 110.882 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.709 ' CG ' ' N ' ' A' ' 151' ' ' ALA . 10.6 p90 -55.24 -60.18 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.932 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.709 ' N ' ' CG ' ' A' ' 150' ' ' PHE . . . -66.73 -44.4 81.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 64.12 111.124 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 9.5 mmt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.912 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.64 0.733 . . . . 72.44 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -25.56 28.61 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.692 2.262 . . . . 73.52 112.371 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.975 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.821 0.343 . . . . 63.42 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -44.23 -35.53 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.863 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -55.02 -54.84 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -52.94 -50.98 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.917 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.57 -70.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 75.51 110.852 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -48.01 -44.1 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 72.54 111.117 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.2 -50.79 63.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.43 111.049 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.1 m -56.98 -52.54 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.11 111.161 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 14.3 tp -55.6 -54.67 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.933 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -50.15 -56.74 9.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 63.42 110.857 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 t -56.75 -29.95 63.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 74.1 110.86 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.76 -63.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 75.3 110.842 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -56.93 -37.27 71.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.906 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -55.78 -28.34 55.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.861 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.905 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.2 mm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.83 0.347 . . . . 73.24 111.139 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.3 122.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 63.32 110.861 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.38 -62.09 6.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 43.52 112.465 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m -49.38 -47.77 47.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 71.44 110.864 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -54.49 -68.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 71.45 110.914 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -47.95 -43.15 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.112 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -55.65 -54.13 47.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.926 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -51.51 -48.13 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.53 110.901 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.6 mt -57.75 -51.62 68.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.921 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.1 m -57.6 -71.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.4 111.126 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.6 t -42.18 -45.34 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 72.1 111.101 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -58.33 -53.79 54.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 73.24 110.928 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.13 -57.8 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 73.24 111.078 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mp -57.33 -46.87 82.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.866 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -55.9 -25.56 43.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 74.14 110.863 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -131.0 83.7 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.848 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 mm -78.88 -1.66 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.119 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -90.29 15.34 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.881 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.0 pt -143.25 29.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 73.51 111.151 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -57.95 -36.94 73.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.878 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 t -58.4 -72.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 72.02 110.874 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.84 -47.31 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 74.4 110.897 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.4 mt -55.8 -70.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 74.14 111.129 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.8 mm -47.46 -47.06 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.148 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -58.16 -41.91 84.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.896 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.0 tp -57.85 -66.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 74.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.4 pt -47.59 -45.94 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 72.41 111.117 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -55.91 -60.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 73.24 111.133 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -56.39 -51.08 69.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.857 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.449 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -51.01 -36.01 37.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.919 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.601 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 4.3 p -63.69 -72.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.878 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.601 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.0 ptt85 -44.38 -32.85 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 73.24 110.85 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.8 -81.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.899 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 55.6 m -51.83 141.29 27.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.615 0.721 . . . . 71.33 110.853 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -99.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 75.4 112.363 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -68.34 -53.63 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.933 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.8 m -38.3 -49.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.87 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.597 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.7 -51.65 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.14 110.87 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.515 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 6.4 mtmp? -37.83 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.876 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -62.85 -55.17 28.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 75.22 110.924 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -49.65 -76.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 70.34 112.526 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' GLY . 19.2 t -36.6 -59.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.969 0.414 . . . . 72.23 110.858 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.59 -54.5 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.948 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -57.4 -48.77 78.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 73.15 110.941 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.3 mt -55.87 -55.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 74.21 111.169 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.8 mt -55.37 -37.31 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 74.24 111.117 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -58.41 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.88 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -53.84 -62.09 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 70.35 110.843 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.5 mt -52.06 -47.4 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 74.23 111.126 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.84 -55.23 28.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 54.33 112.538 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -56.81 11.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 73.34 110.918 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.08 -59.64 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.41 111.098 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -48.6 -46.49 39.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.94 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.5 tp -53.68 -56.4 17.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.915 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.2 -41.14 71.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 50.34 110.834 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.16 -72.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 62.12 110.864 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.18 -35.95 65.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.176 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -55.21 -44.65 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 74.45 110.861 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.62 -64.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 71.4 110.902 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -75.07 -75.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 74.24 110.862 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.18 146.33 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.901 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.4 p30 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.904 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 N--CA 1.465 -0.157 0 CA-C-O 120.865 0.277 . . . . 71.01 112.364 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.46 -41.41 0.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 71.32 112.469 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -171.52 -174.02 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 62.01 111.158 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 p -40.65 -50.81 3.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.87 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.36 -61.94 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.23 111.054 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -53.82 -39.9 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.886 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.71 -60.15 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 64.43 111.125 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 50.7 mt -54.74 -45.24 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 63.53 111.126 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -55.42 -54.41 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.871 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.2 m -54.73 -49.83 69.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 75.53 111.124 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.2 mt -55.22 -56.94 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.898 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.91 -15.35 27.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 72.35 112.497 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.51 -8.6 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 72.44 110.899 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.94 -19.99 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 74.21 111.129 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.0 tp -46.63 -30.81 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 71.14 111.137 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -74.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.3 110.95 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -51.51 -39.94 58.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.3 mt -56.14 -71.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 74.44 110.918 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -52.14 -64.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.944 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 5.0 m -35.88 -64.9 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.843 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -49.4 -48.62 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 73.02 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.437 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.83 -57.2 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 62.44 111.115 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.7 mt -55.72 -45.14 79.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 75.14 111.1 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.1 -66.49 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 74.04 111.133 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -55.57 -56.3 21.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.32 110.91 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.458 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 77.3 p -39.06 143.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.868 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.448 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -92.4 -174.33 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.838 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.571 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.2 pp0? -43.33 -52.11 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.54 -68.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 12.1 m170 -47.94 -59.71 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.847 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -46.15 -37.53 7.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 75.25 110.904 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -60.89 -46.3 91.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.931 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -57.83 -49.12 77.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 74.41 110.933 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 57.8 mt -56.6 -49.85 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.114 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -50.93 -51.35 53.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.853 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.48 -50.89 68.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.85 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 38.3 tp -53.41 -43.67 68.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 75.42 110.925 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.442 HD12 HG13 ' A' ' 145' ' ' ILE . 0.5 OUTLIER -56.59 -48.82 76.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.903 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.49 -50.74 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.853 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 76.1 mt -57.38 -41.01 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 74.25 111.145 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -54.98 -59.22 5.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 75.4 110.96 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -55.33 -51.74 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 63.4 110.865 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -55.53 -69.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.867 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.838 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.737 0.303 . . . . 73.32 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.442 HG13 HD12 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -64.03 -27.08 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.162 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -39.48 -52.36 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.859 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 94.5 p -58.42 98.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 71.43 110.862 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -47.21 -28.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.04 110.926 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 48.5 t -47.76 -30.35 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.824 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -55.57 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 72.24 110.876 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -46.79 -45.98 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 64.32 111.165 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 1.1 ptm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.903 179.908 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.584 0.707 . . . . 71.41 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.52 36.91 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.711 2.274 . . . . 64.21 112.373 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.908 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.824 0.345 . . . . 62.02 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -49.96 -25.11 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.854 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -48.72 -58.05 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 73.23 110.88 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.1 -51.66 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.02 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -55.94 -70.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 72.34 110.911 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.77 -45.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.34 111.104 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.24 -50.08 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.43 111.05 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.4 m -57.07 -53.41 58.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.127 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 tp -56.32 -53.83 52.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.933 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.0 -59.71 3.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 72.43 110.848 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -56.07 -30.44 61.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.861 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -56.84 -63.73 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.916 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -56.77 -37.29 70.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 72.12 110.935 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -55.69 -29.03 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.889 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 75.02 110.915 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.854 0.359 . . . . 74.22 111.109 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 120.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 75.32 110.884 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.44 -47.43 76.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 74.24 112.53 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 t -45.4 -59.62 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 72.13 110.845 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -58.83 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.853 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.9 mt -49.12 -45.55 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 73.42 111.14 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -53.03 -57.14 11.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.873 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -47.5 61.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.895 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.61 -52.4 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 72.23 110.921 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -56.51 -69.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.168 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -44.85 -44.92 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 64.33 111.156 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -58.1 -58.95 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.9 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.77 -57.35 4.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 54.32 111.094 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -57.07 -48.42 78.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 65.24 110.963 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -55.94 -25.31 42.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 64.55 110.858 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -129.9 83.36 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.804 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mm -77.89 -1.27 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 74.24 111.172 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -90.3 18.11 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 73.2 110.863 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.6 pt -147.57 30.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 72.35 111.094 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -57.75 -36.76 72.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.841 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 t -57.64 -74.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 64.41 110.841 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -46.36 19.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.872 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.6 mt -56.72 -70.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.12 111.118 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.3 mm -46.72 -49.17 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 73.11 111.148 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -42.24 82.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.1 110.813 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.3 -66.7 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.913 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.5 pt -46.85 -45.84 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.141 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -56.43 -57.9 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.101 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -57.02 -49.62 75.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 64.22 110.826 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -51.36 -37.08 46.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.929 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.578 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 9.3 p -63.04 -72.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 71.54 110.863 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.578 ' N ' ' OG ' ' A' ' 54' ' ' SER . 7.7 ptt85 -45.11 -32.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 72.43 110.916 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.75 -84.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -50.65 141.15 17.92 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.589 0.709 . . . . 72.34 110.9 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -100.36 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 73.43 112.349 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -68.95 -53.27 21.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 65.33 110.856 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -38.44 -50.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 70.21 110.868 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -57.05 -52.19 66.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 71.3 110.864 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.53 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 6.9 mtmp? -36.78 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 64.4 110.915 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -58.13 9.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.918 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.96 -76.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 74.23 112.493 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' GLY . 21.3 t -35.79 -58.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 74.34 110.827 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.38 -55.12 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 75.1 110.918 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -56.45 -45.99 80.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.2 110.958 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.94 -56.0 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 71.51 111.137 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.9 mt -55.91 -36.85 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.44 111.156 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -57.18 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 73.24 110.835 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -64.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 61.34 110.847 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 83.3 mt -55.33 -33.98 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 65.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.26 -69.43 1.28 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.72 . . . . 74.51 112.465 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 ptt85 -55.19 -38.46 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 72.33 110.858 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.02 -61.0 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 74.35 111.096 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -53.81 -46.86 71.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 71.5 110.936 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 tp -52.38 -53.82 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 75.13 110.906 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -43.72 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.898 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.23 -71.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -40.06 63.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 64.34 111.125 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -55.46 -37.64 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.878 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -50.11 -32.92 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.873 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -119.67 -76.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 70.02 110.843 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -166.62 164.64 16.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.839 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 74.41 110.871 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.147 0 CA-C-O 120.878 0.283 . . . . 73.35 112.323 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.8 -37.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 73.2 112.49 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.77 -174.54 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 72.22 111.169 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -42.33 -50.68 5.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 73.34 110.834 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.81 -64.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.12 111.086 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -51.43 -41.54 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 75.15 110.827 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.62 -57.28 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 70.52 111.128 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.2 mt -52.21 -49.89 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 72.24 111.088 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -55.27 -54.98 36.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.893 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.6 m -50.04 -57.13 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.124 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 62.7 mt -49.69 -59.56 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.912 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.55 -14.43 21.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.675 -0.774 . . . . 55.3 112.493 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.09 -11.22 47.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 73.43 110.893 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.9 m -123.11 -20.61 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 74.13 111.107 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.5 tp -47.72 -30.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.24 111.136 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -69.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.25 110.895 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.44 -39.83 73.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 77.4 mt -55.09 -67.33 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.957 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.5 OUTLIER -53.4 -63.82 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.862 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' LEU . 66.2 p -37.52 -67.25 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.905 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -48.2 -46.1 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.869 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.436 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -56.38 -59.05 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 75.54 111.064 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.4 mt -52.76 -50.07 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 73.33 111.112 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.18 -69.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.125 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -30.31 16.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.913 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 3.3 m -69.72 150.51 46.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.844 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.485 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -98.51 -172.86 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.889 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.614 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.6 mt-30 -44.52 -51.78 8.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 72.35 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -63.06 -66.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.485 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 43.2 m170 -48.59 -59.92 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.904 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.2 OUTLIER -45.91 -38.4 7.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.888 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -45.7 93.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 75.31 110.885 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -58.14 -50.08 74.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 52.6 mt -57.6 -48.9 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.01 111.129 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -52.0 -51.08 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 73.54 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.1 ttm -55.63 -54.24 46.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.866 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.36 -45.55 55.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.54 110.921 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -57.15 -49.12 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.889 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -51.7 -50.7 59.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 74.2 110.891 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.18 -39.53 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 65.33 111.135 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.446 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 38.4 m0 -52.36 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 74.3 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -55.75 -49.16 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.855 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -55.36 -71.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.858 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.843 -179.775 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.786 0.327 . . . . 73.11 111.122 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 146' ' ' ARG . 0.0 OUTLIER -65.09 -27.99 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.1 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 145' ' ' ILE . 0.8 OUTLIER -36.44 -53.48 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.852 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.5 t -50.95 102.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -47.86 -29.74 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 65.54 110.915 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.25 -30.97 19.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 65.45 110.911 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -55.92 -87.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.826 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -48.44 -43.34 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 73.1 111.131 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 12.3 mtp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 55.54 110.894 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.586 0.708 . . . . 64.43 110.933 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -23.57 30.71 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.678 2.252 . . . . 71.13 112.321 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.884 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.825 0.345 . . . . 72.02 110.874 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -55.97 -31.83 63.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 73.1 110.864 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -57.12 -56.86 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 71.34 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.76 -51.76 62.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 64.11 110.836 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -55.07 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.873 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.33 -44.02 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 75.02 111.106 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.23 -49.86 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 71.04 111.11 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.1 m -56.84 -52.87 63.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 75.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.9 -54.47 44.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.955 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -50.08 -58.47 5.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.882 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -56.91 -28.93 62.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 64.32 110.868 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -62.92 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.923 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -57.59 -36.21 71.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.898 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -54.76 -24.55 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 65.1 110.842 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.942 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.791 0.329 . . . . 73.33 111.091 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.56 121.66 5.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.904 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.95 -42.05 85.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 62.14 112.451 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -48.57 -57.72 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 75.25 110.885 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -53.78 -58.66 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.11 110.877 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.3 mt -49.53 -43.94 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.51 111.185 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -55.14 -54.31 44.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 72.42 110.888 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.39 -50.26 65.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 75.32 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.79 -51.21 70.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 74.14 110.929 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -57.4 -72.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.43 111.142 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.4 t -42.49 -43.74 3.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 75.43 111.133 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -57.36 -57.53 12.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.905 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.72 -51.1 41.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 72.52 111.085 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.75 -50.08 73.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.934 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -57.21 -27.1 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.849 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -130.09 85.29 2.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.851 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.0 mm -80.47 -1.69 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.31 111.121 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -90.25 23.43 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 70.51 110.82 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 pt -148.11 30.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.21 111.144 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -57.64 -37.17 72.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 64.41 110.891 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 t -57.82 -74.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 74.52 110.856 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.05 -47.41 22.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 72.42 110.886 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.8 mt -55.94 -70.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 74.32 111.159 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.0 mm -48.02 -47.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.43 111.071 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.4 m -57.27 -44.54 84.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 72.43 110.839 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 tp -56.99 -67.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.852 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.8 pt -46.61 -46.46 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.53 111.115 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 54.1 mt -56.95 -56.47 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 63.02 111.09 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -51.02 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 73.34 110.86 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 1.7 t80 -51.83 -38.05 54.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.907 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.1 t -63.33 -75.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 75.35 110.814 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -30.38 27.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 73.34 110.85 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 mt -42.48 -77.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.932 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.66 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -89.2 169.28 13.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 73.34 110.916 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.78 -158.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.654 2.236 . . . . 71.04 112.35 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -31.96 -50.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 72.24 110.913 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 59' ' ' ASP . 61.7 m -33.28 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.856 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.66 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 12.2 m170 -60.98 -38.61 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 72.22 110.863 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -45.29 -62.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.92 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.99 -59.18 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.92 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.72 -64.17 3.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 72.12 112.468 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -45.99 32.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.934 0.397 . . . . 75.01 110.845 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mt -47.84 -53.92 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 73.44 110.886 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -55.93 -46.44 78.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.919 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.8 mt -57.08 -52.99 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 71.42 111.099 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.4 mt -56.88 -37.98 56.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.1 111.133 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.05 -55.31 34.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 75.01 110.853 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -55.97 -56.97 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 54.24 110.871 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.2 mt -55.03 -45.86 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 73.1 111.11 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.79 -56.15 24.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 61.24 112.485 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -57.7 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 75.14 110.904 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.13 -49.53 71.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 74.12 111.088 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -55.16 -51.89 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 65.33 110.928 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.4 tp -51.09 -56.52 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 74.35 110.927 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -42.25 71.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.26 -72.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.876 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.5 t -52.95 -45.28 67.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 73.55 111.185 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -54.95 -35.79 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.915 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.15 -29.94 24.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.859 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -75.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 75.41 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t -178.21 154.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 65.5 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 75.32 110.925 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.825 0.26 . . . . 75.32 112.329 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.9 -37.64 0.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 61.34 112.524 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.81 -176.08 5.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.743 0.306 . . . . 73.42 111.171 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 79.6 m -47.86 -36.58 12.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.907 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.44 -72.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 74.52 111.117 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -53.24 -34.8 58.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.43 110.866 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.2 -57.9 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 73.41 111.105 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 55.9 mt -56.15 -54.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.24 111.152 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -43.25 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.3 110.901 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.8 m -56.73 -56.62 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.111 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.1 mt -55.31 -48.84 73.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 74.02 110.918 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.6 -14.56 29.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 64.53 112.451 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.94 -4.87 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 71.11 110.888 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.91 -13.88 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.137 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.4 tp -48.8 -31.42 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.147 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.421 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -47.75 -71.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.879 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.18 -37.93 70.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.894 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.69 -75.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.937 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -52.2 -61.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.892 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' LEU . 92.6 p -36.78 -62.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 75.45 110.88 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -55.35 -46.97 76.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 71.14 110.853 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.28 -58.74 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 61.02 111.073 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.6 mt -52.49 -51.54 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.111 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.38 -65.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 70.12 111.159 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -21.31 11.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 74.21 110.903 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.438 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 6.2 m -85.31 150.34 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.83 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.402 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -97.98 -173.4 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 74.53 110.869 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.607 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 14.8 mt-30 -42.62 -52.54 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.881 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -68.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.842 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.402 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 19.1 m170 -47.46 -59.27 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.52 -38.55 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.35 110.886 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -61.47 -44.76 96.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 63.52 110.889 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -57.87 -49.42 76.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.908 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.2 mt -57.64 -50.4 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.1 111.136 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -52.41 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.04 110.883 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 ttm -55.85 -49.5 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.905 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.6 tp -51.06 -50.03 59.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 65.3 110.943 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.499 HD12 HG22 ' A' ' 145' ' ' ILE . 0.7 OUTLIER -55.28 -48.52 73.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.909 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -51.52 -49.42 61.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 73.21 110.857 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.9 mt -57.76 -43.04 83.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 75.14 111.144 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -53.58 -59.09 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 71.42 110.931 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -55.1 -49.87 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 75.42 110.85 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -53.5 -64.27 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.888 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 75.22 110.836 -179.779 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.727 0.298 . . . . 72.24 111.087 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.499 HG22 HD12 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.55 -24.15 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 75.34 111.14 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -42.53 -49.85 5.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.902 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.6 t -68.57 103.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.849 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -48.43 -26.78 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.884 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 2.6 m -46.91 -32.19 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -57.83 -95.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.887 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -38.73 -39.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 75.24 111.086 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 31.1 mtp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.881 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 27.4 t30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.628 0.728 . . . . 72.52 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.22 36.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 73.43 112.358 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.814 0.34 . . . . 74.13 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -46.82 -29.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 63.33 110.821 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -49.72 -58.08 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.921 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -53.53 -51.19 63.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.92 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -56.28 -68.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 74.15 110.886 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.49 -44.65 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 74.3 111.113 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.85 -50.53 63.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.21 111.064 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -57.61 -52.19 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.15 111.15 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 10.1 tp -55.5 -55.48 31.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 72.32 110.93 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -49.41 -58.31 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.88 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 t -56.86 -28.73 62.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 74.4 110.891 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -62.08 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 63.11 110.848 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -57.0 -35.15 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.915 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -55.53 -23.1 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 62.53 110.91 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.923 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.8 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.852 0.358 . . . . 74.13 111.109 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.6 m -152.77 119.06 5.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 75.05 110.823 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.21 -50.19 60.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 71.22 112.476 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -49.72 -51.96 34.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 73.04 110.824 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -55.06 -64.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.917 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.2 mt -49.23 -41.76 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 74.02 111.16 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -56.79 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.89 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -52.86 -48.76 66.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 75.4 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.3 mt -56.8 -52.83 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.964 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 m -57.51 -72.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 73.22 111.115 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -41.22 -44.68 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 64.23 111.164 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -57.37 -55.94 28.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.897 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.72 -52.67 46.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 63.23 111.135 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.85 -48.24 80.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.895 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.71 -27.47 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.83 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -131.8 86.08 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.84 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.1 mm -80.37 0.65 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 62.14 111.11 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -88.17 12.24 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 70.24 110.873 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 pt -139.22 30.82 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 73.12 111.172 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -57.49 -37.62 73.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.01 110.885 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 t -57.95 -73.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.898 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -46.2 26.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 75.24 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.23 -71.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.099 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.2 mm -47.26 -48.43 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 62.22 111.115 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -57.61 -41.54 81.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.827 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.1 tp -58.09 -67.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.918 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.7 pt -46.54 -46.53 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 63.22 111.136 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.9 mt -56.37 -59.59 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 74.32 111.118 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.58 -52.57 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.02 110.899 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.405 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 2.9 t80 -49.36 -37.62 25.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 75.41 110.956 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.624 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 8.0 p -63.25 -76.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 73.43 110.843 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.624 ' N ' ' OG ' ' A' ' 54' ' ' SER . 6.6 ptt85 -42.69 -35.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 74.11 110.849 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.94 -75.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.904 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.8 m -46.54 151.28 1.04 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 73.12 110.9 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -155.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 74.12 112.32 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.429 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 10.4 p-10 -38.77 -46.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.89 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -44.01 -41.63 5.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 74.42 110.874 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.591 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.2 -49.25 77.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 72.04 110.852 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.567 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 7.3 mttp -43.5 -67.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.913 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.78 -58.48 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 74.24 110.88 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -50.04 -72.28 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 72.3 112.494 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' GLY . 39.7 t -37.68 -56.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 62.52 110.863 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.81 -54.83 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 75.44 110.943 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -57.46 -46.55 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.909 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.5 mt -55.82 -54.43 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.34 111.107 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.3 mt -56.03 -38.09 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 71.11 111.16 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -57.11 -54.42 46.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.01 110.913 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -56.39 -64.88 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 62.14 110.898 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.9 mt -51.51 -44.58 33.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 75.05 111.109 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.35 -56.39 19.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.764 . . . . 62.03 112.508 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 mtm105 -53.35 -58.01 8.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 73.31 110.876 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.56 -58.77 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 72.03 111.091 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -50.85 -46.05 59.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.905 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 tp -53.48 -53.85 45.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 74.14 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -41.56 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.861 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.91 -71.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.855 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -40.73 68.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.12 111.133 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -55.36 -39.32 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 73.45 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -59.72 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.854 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -92.97 -75.85 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.915 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 t -174.66 -175.06 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.878 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.5 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 64.12 110.869 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.803 0.251 . . . . 73.53 112.345 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.92 -33.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 75.4 112.502 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.9 -176.06 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 72.33 111.15 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 p -45.23 -44.76 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 75.2 110.884 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.07 -76.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.41 111.083 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -51.07 -34.98 32.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 73.53 110.908 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.5 -56.14 24.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 64.44 111.111 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 74.8 mt -56.63 -54.84 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 74.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -43.6 74.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 73.32 110.878 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.4 m -56.76 -55.53 33.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 63.44 111.152 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.6 mt -52.86 -53.09 53.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.892 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.49 -15.23 23.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 74.23 112.521 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.41 -13.01 41.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 72.31 110.904 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 m -120.02 -19.28 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 74.25 111.136 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.6 tp -52.44 -27.19 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 71.43 111.135 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.21 -69.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.927 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.09 -43.81 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.55 110.879 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.2 mt -54.89 -68.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 72.13 110.915 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.5 OUTLIER -50.94 -68.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 72.53 110.94 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 109' ' ' LEU . 50.1 p -34.52 -70.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 70.22 110.876 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.99 -48.19 52.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 64.12 110.818 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.493 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -47.53 -59.59 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 65.43 111.142 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -58.31 -41.2 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.51 111.162 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.91 -71.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 75.01 111.073 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -42.44 74.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 71.14 110.883 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.449 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 5.8 m -49.74 143.3 7.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 62.43 110.859 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.435 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -94.88 -172.19 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.888 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.615 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 7.8 tt0 -43.46 -52.69 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.944 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.07 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 70.01 110.888 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.435 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 38.8 m170 -48.77 -60.05 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.834 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.92 -38.66 7.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.904 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -44.98 95.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 64.14 110.905 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -58.18 -51.93 67.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 51.5 mt -56.88 -51.48 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.12 111.117 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -54.3 16.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.91 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.37 -48.5 74.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.859 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.8 tp -54.72 -43.93 73.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 72.22 110.878 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -49.7 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.926 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.48 -55.01 36.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.833 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 55.9 mt -56.81 -38.7 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.137 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -54.81 -61.42 2.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.928 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -55.8 -47.04 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.87 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -55.14 -59.22 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.855 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.843 -179.788 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.74 0.305 . . . . 72.24 111.076 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -22.77 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 73.42 111.176 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -41.99 -51.59 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 74.24 110.907 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.0 t -61.98 94.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 62.34 110.897 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -46.72 -28.54 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 73.01 110.887 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 16.5 m -47.52 -33.28 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 75.5 110.847 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -56.4 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.88 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -45.06 -49.73 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 74.11 111.111 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.847 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 13.1 p30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.587 0.708 . . . . 74.54 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -24.27 29.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 74.43 112.376 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.941 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.897 0.379 . . . . 74.43 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -49.26 -26.0 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.89 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.93 -57.71 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.932 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -52.34 -50.73 61.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CZ ' HG22 ' A' ' 46' ' ' ILE . 45.0 t80 -56.45 -70.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 64.44 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -46.57 -45.66 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 64.2 111.155 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.15 72.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 74.44 111.117 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.5 m -58.42 -53.26 60.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 73.53 111.158 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 tp -56.38 -53.98 51.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.897 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.81 -55.86 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.893 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 t -59.63 -31.48 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 73.01 110.848 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 20' ' ' LEU . 14.0 t80 -51.42 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 75.23 110.892 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -61.22 -37.07 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 75.15 110.914 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.97 -14.97 10.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.857 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.521 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.924 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.837 0.351 . . . . 74.02 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 t -126.43 113.27 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.887 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.73 -56.53 23.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 73.03 112.484 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -44.38 -47.83 9.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 74.15 110.857 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -54.83 -56.05 23.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.875 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.8 mt -49.44 -44.49 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 70.24 111.144 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -56.04 -57.11 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 74.33 110.911 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -50.61 -49.2 57.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.92 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.81 -51.4 69.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.943 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 m -56.69 -70.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.089 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.7 t -44.39 -44.65 8.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 71.33 111.115 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -58.02 -56.85 16.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.902 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.78 -57.8 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 63.53 111.094 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.75 -48.72 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.14 110.92 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.4 -26.81 54.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.859 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -129.66 83.76 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.862 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.1 mm -78.4 -0.6 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 75.51 111.143 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -90.92 20.68 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 61.42 110.892 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.415 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.4 pt -149.45 27.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.11 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -58.2 -33.96 69.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.894 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 16.2 t -59.01 -72.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.887 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -48.54 -45.99 38.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 72.42 110.902 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.4 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 50.7 mt -56.95 -69.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 71.41 111.134 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -48.75 -47.4 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.114 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -57.82 -43.54 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.905 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.59 -67.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.077 -0.51 . . . . 62.15 110.902 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 pt -44.79 -46.07 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 74.1 111.063 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.34 -54.84 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.25 111.124 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -42.86 83.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.868 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 3.3 t80 -56.61 -38.43 72.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.896 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 27.0 p -63.66 -68.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 72.52 110.87 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.01 -26.96 63.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 75.32 110.891 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 53' ' ' TYR . 4.4 mt -42.38 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.901 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.674 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -94.86 169.93 8.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 73.44 110.91 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.4 Cg_endo -69.81 -158.08 0.05 OUTLIER 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.65 2.233 . . . . 64.44 112.383 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -29.53 -54.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 74.11 110.883 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' ASP . 10.7 p -34.09 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.904 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.674 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 4.6 m170 -60.65 -38.95 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 65.32 110.861 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -45.83 -61.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 74.54 110.859 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.1 tp -57.5 -56.98 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.902 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.22 -60.78 5.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.682 -0.771 . . . . 45.3 112.506 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.1 -47.96 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 63.14 110.843 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -49.12 -50.44 37.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 60.42 110.937 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -56.27 -49.59 73.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.935 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.2 mt -56.88 -56.29 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 73.53 111.121 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.7 mt -56.51 -35.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 75.44 111.115 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.82 -55.66 31.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.867 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -55.88 28.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 55.04 110.852 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.9 mt -55.37 -45.89 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.134 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.13 -57.95 16.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.734 . . . . 72.14 112.481 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.31 -55.98 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 74.11 110.878 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.88 -53.21 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 64.04 111.072 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -53.03 -47.11 68.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 71.54 110.875 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 tp -54.82 -53.78 50.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 75.23 110.924 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.2 -39.63 69.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 63.4 110.908 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.88 -66.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 65.33 110.846 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 t -55.71 -51.35 67.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 74.42 111.143 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -55.61 -29.75 59.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.11 -32.67 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.4 110.808 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -128.47 -63.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.885 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -168.86 159.15 9.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 52.35 110.885 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.52 110.878 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.139 0 CA-C-O 120.852 0.272 . . . . 74.03 112.342 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.44 -39.52 0.1 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 74.21 112.52 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.79 -177.38 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 75.24 111.113 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -41.17 -54.54 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 65.02 110.916 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.3 -66.3 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 63.03 111.118 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -51.67 -36.46 46.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.886 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.48 -61.42 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 51.33 111.089 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 68.3 mt -52.34 -42.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 75.11 111.126 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -56.03 -53.56 55.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 54.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 m -55.48 -55.2 34.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.51 111.13 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.0 mt -51.26 -56.13 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 74.04 110.895 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.09 -14.85 26.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 63.45 112.482 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.15 -8.56 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 75.11 110.866 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.9 m -123.89 -14.64 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.119 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.4 tp -49.63 -30.26 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 72.23 111.134 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -71.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.897 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -56.41 -39.9 73.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 65.2 110.873 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.1 mt -56.78 -74.39 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 73.35 110.896 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.2 OUTLIER -51.21 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.952 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.4 p -35.56 -58.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 65.11 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -56.19 -51.97 66.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.86 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.65 -58.9 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 72.43 111.072 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 109' ' ' LEU . 3.1 mt -53.0 -51.95 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 73.41 111.142 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.45 -68.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 63.4 111.116 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -47.97 -50.82 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.845 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.403 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 4.3 m -50.54 153.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 72.33 110.877 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -94.92 -169.91 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.916 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.623 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.6 tt0 -49.13 -51.66 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -62.94 -64.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 73.43 110.866 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 116' ' ' SER . 14.6 m170 -49.38 -59.64 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.35 110.857 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.623 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.2 OUTLIER -45.81 -38.57 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 72.33 110.895 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -60.66 -45.77 92.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.898 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -58.12 -48.75 79.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.861 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.75 -48.58 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 73.13 111.153 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -52.78 40.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.84 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -47.99 76.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.05 110.866 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 21.0 tp -54.61 -45.6 73.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.918 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.93 -48.95 74.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.948 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.6 -48.89 71.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.852 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.3 mt -57.81 -41.34 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.32 111.12 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 33.2 m0 -54.88 -58.26 8.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.963 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -55.47 -52.7 62.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.829 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -54.84 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.879 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.1 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 71.35 110.9 -179.842 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.749 0.309 . . . . 74.23 111.079 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -23.38 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 71.31 111.103 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -45.76 -51.09 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.831 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 33.2 t -67.34 108.19 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.85 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -50.19 -24.89 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 71.04 110.908 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 42.2 t -48.69 -31.31 6.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -54.9 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 75.31 110.867 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -47.83 -46.78 31.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 71.2 111.093 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 28.5 mmm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.3 110.917 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 5.6 p30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.645 0.736 . . . . 74.44 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -15.37 36.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 75.13 112.326 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 11.5 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.935 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.848 0.356 . . . . 75.03 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -47.77 -27.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 74.51 110.9 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -50.01 -56.53 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 75.12 110.932 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.32 -52.51 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.32 110.861 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -55.53 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.6 -45.01 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 64.24 111.116 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.08 -49.46 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.11 111.088 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -57.4 -53.71 55.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 75.01 111.14 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -56.48 -52.62 64.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 70.02 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.17 -57.15 7.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.859 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -55.5 -32.03 62.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 63.34 110.892 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -61.58 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.876 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -55.41 -35.47 65.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 75.32 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -57.11 -23.1 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 74.44 110.889 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.945 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.878 0.37 . . . . 75.43 111.164 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.66 124.44 37.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.833 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.61 -37.79 69.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.772 -0.728 . . . . 72.44 112.459 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 t -51.17 -43.89 61.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 72.55 110.851 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -54.63 -63.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 72.42 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.0 mt -50.32 -40.89 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.02 111.163 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -59.41 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.54 110.912 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -51.83 -47.06 64.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.903 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 mt -57.61 -53.79 54.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 m -57.6 -71.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 73.43 111.122 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -40.82 -44.97 2.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 63.23 111.163 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -59.39 -57.42 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.862 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.15 -57.33 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 75.12 111.079 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mp -56.6 -47.43 79.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 74.42 110.97 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.44 -25.18 49.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 52.32 110.851 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -131.42 85.31 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 64.12 110.85 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 mm -80.06 2.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 74.42 111.13 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.83 19.65 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 73.44 110.868 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 pt -149.85 35.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.44 111.143 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -59.36 -38.0 79.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 71.42 110.851 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 t -57.52 -74.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.854 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.17 -48.65 9.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.923 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.0 mt -56.4 -73.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.24 111.138 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.2 mm -44.78 -49.34 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 75.54 111.147 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 m -56.99 -43.39 81.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 61.43 110.828 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.26 -67.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.928 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 pt -46.44 -45.75 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 74.44 111.134 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 70.9 mt -55.23 -59.3 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 71.33 111.168 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -51.09 70.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.85 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.55 -38.85 21.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.21 110.919 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.565 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 11.2 p -62.38 -74.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 74.52 110.875 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.565 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.6 ptt85 -44.48 -34.21 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 75.15 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.87 -78.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.916 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 61' ' ' HIS . 60.1 m -47.78 149.35 2.28 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.643 0.735 . . . . 72.33 110.882 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.9 Cg_endo -69.77 -152.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 74.13 112.307 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.428 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -37.77 -45.39 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.925 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -43.86 -41.95 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.82 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.535 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -58.11 -47.03 84.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.833 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.535 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 6.7 mtmp? -41.72 -68.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.894 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.0 tp -60.32 -60.66 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.952 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.18 -73.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.676 -0.773 . . . . 74.14 112.489 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' GLY . 46.7 t -36.89 -59.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 74.11 110.902 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.42 -54.32 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 62.32 110.894 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -57.39 -46.83 83.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.948 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.5 mt -55.6 -55.69 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.43 111.116 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 mt -55.96 -37.38 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.34 111.16 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.23 -56.11 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 74.33 110.888 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 p -55.82 -64.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.875 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.1 mt -51.99 -45.83 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 74.01 111.14 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.63 -62.19 6.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.747 -0.74 . . . . 72.21 112.479 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -49.11 -55.1 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 70.21 110.816 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.91 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.52 111.089 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -47.18 -50.07 21.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.922 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -63.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.938 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -40.49 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.887 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -55.2 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.882 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.6 t -55.16 -36.18 65.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 70.55 111.136 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -55.44 -41.57 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 64.24 110.855 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -51.29 -29.69 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.866 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -108.13 -76.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.911 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t 179.92 139.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 63.25 110.863 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.33 110.933 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.137 0 CA-C-O 120.822 0.259 . . . . 74.44 112.388 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.32 -29.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 75.02 112.467 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.69 -178.46 6.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 61.21 111.189 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 95' ' ' ALA . 68.0 m -48.41 -43.97 34.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 72.12 110.925 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' CYS . . . -37.54 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 71.44 111.08 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -52.14 -38.8 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.858 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.1 -57.38 10.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 52.5 111.134 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.8 mt -56.34 -48.75 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 64.51 111.147 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -56.36 -56.64 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.872 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.1 m -51.15 -55.01 19.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 70.1 111.153 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.5 mt -50.03 -57.95 6.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 71.11 110.927 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.28 -14.13 32.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 44.24 112.522 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.68 -13.85 33.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 55.31 110.901 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 m -118.44 -20.8 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 74.24 111.112 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.2 tp -50.87 -29.39 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.21 111.138 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -69.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.934 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -56.16 -39.51 72.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 72.54 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.2 mt -55.06 -69.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 72.1 110.906 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -55.39 -63.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.871 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 109' ' ' LEU . 78.0 p -36.64 -67.07 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.87 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.19 -45.08 61.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 75.35 110.841 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.489 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.55 -59.73 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 64.01 111.084 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.7 mt -50.9 -48.28 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 61.23 111.128 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.08 -69.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.45 111.124 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -30.32 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.913 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -68.6 147.58 51.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.861 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -94.47 -167.6 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.608 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.5 tt0 -50.5 -51.63 45.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.919 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.82 -62.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -50.67 -59.95 3.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.856 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -46.53 -37.86 8.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.843 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.92 -46.51 89.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.874 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -58.14 -51.49 69.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.897 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 48.9 mt -56.24 -49.95 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.42 111.141 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -52.32 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.887 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.18 -51.47 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 74.34 110.86 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 50.9 tp -52.66 -44.34 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 75.43 110.92 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.428 HD11 HG22 ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.53 -50.63 71.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 75.34 110.902 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.58 -50.38 60.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 70.03 110.867 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.4 mt -57.0 -42.87 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 64.1 111.197 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -54.03 -53.11 57.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.956 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.18 -54.44 45.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 71.31 110.914 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -55.72 -74.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.833 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.7 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.872 -179.731 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.774 0.321 . . . . 74.34 111.122 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.428 HG22 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.9 -24.79 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 75.31 111.107 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.63 -51.38 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.896 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.2 p -58.23 99.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.874 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -45.13 -32.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.889 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 49.8 t -44.73 -31.52 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 70.33 110.899 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -58.45 -95.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.35 110.922 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -38.52 -41.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 53.14 111.11 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 34.9 mmm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.894 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1008 ' ' ASN . . . . . 0.415 ' OD1' ' HD2' ' B' 1009 ' ' PRO . 2.2 t-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.616 0.722 . . . . 74.42 110.877 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1009 ' ' PRO . . . . . 0.415 ' HD2' ' OD1' ' B' 1008 ' ' ASN . 53.9 Cg_endo -69.78 -23.18 31.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.254 . . . . 73.14 112.354 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 26.4 p90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 70.1 110.924 -179.885 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.828 0.347 . . . . 72.52 110.894 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -48.19 -27.32 2.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -50.2 -56.81 9.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 72.13 110.916 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -53.55 -52.14 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 73.03 110.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -56.18 -68.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.903 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.43 -45.76 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.146 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.66 -51.17 61.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.03 111.095 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -57.37 -52.99 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 72.22 111.169 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 15.8 tp -55.36 -54.68 40.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.916 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.78 -56.58 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.903 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 t -56.15 -30.91 62.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 64.32 110.82 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.1 -64.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 75.15 110.899 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -56.5 -37.16 70.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.943 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -55.75 -26.65 46.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.875 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.923 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.836 0.351 . . . . 75.33 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.12 115.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.51 110.855 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.88 -50.18 51.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 73.12 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -49.29 -52.57 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 74.3 110.817 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -55.37 -64.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.922 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -47.91 -42.58 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.54 111.152 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -55.38 -56.79 16.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 72.41 110.927 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -51.73 -47.72 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.35 110.926 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.77 -52.45 65.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.907 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 m -57.32 -71.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.131 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -41.8 -44.91 3.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.168 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -58.25 -55.8 30.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.35 110.915 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.61 -57.38 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 74.24 111.12 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mp -57.38 -46.7 83.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 71.52 110.923 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.38 -28.07 40.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 75.45 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -130.6 85.05 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.877 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.451 ' O ' ' CG2' ' A' ' 40' ' ' ILE . 45.9 mm -76.37 -1.43 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 75.31 111.158 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -92.72 26.23 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.872 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.8 pt -155.15 32.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.53 111.126 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' HG3' ' C ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -62.84 -42.06 99.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.906 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.4 t -51.67 -69.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 72.35 110.881 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.82 -49.03 50.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.845 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.9 mt -55.16 -69.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 74.24 111.155 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.3 mm -45.84 -49.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 64.03 111.134 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -56.48 -41.92 77.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 54.51 110.854 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 tp -58.16 -66.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 63.32 110.942 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.8 pt -47.64 -44.25 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.33 111.109 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.5 mt -55.47 -62.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.138 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.02 -48.61 75.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.849 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.458 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -51.43 -38.81 55.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.918 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.553 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 12.9 p -62.7 -72.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 70.1 110.823 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.553 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -43.35 -34.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.891 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.3 mt -57.68 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.924 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.569 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -51.3 141.09 22.6 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.624 0.726 . . . . 75.0 110.892 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -98.82 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.672 2.248 . . . . 74.24 112.355 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.6 OUTLIER -68.63 -53.39 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.903 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER -38.14 -50.08 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.863 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.569 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.48 -52.04 67.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.842 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.527 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 7.1 mtmp? -36.05 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.925 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tp -62.68 -55.83 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.53 110.897 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -49.48 -78.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.721 . . . . 75.53 112.459 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' GLY . 32.0 t -36.75 -56.85 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 74.54 110.905 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 mt -41.5 -56.38 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 74.11 110.917 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -57.05 -45.65 83.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.914 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.6 mt -55.76 -56.13 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 64.34 111.109 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.6 mt -55.87 -36.99 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 75.52 111.139 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -56.7 18.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.888 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -55.35 -63.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 73.14 110.877 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.8 mt -52.5 -44.19 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 74.21 111.128 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.71 -61.41 7.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 73.23 112.501 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -53.69 21.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 74.42 110.865 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.22 -59.6 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.12 111.08 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -49.16 -49.26 43.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 73.45 110.946 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.7 tp -52.07 -60.92 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 75.31 110.925 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -41.2 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.851 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -55.28 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.867 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 t -54.97 -42.7 72.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.156 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -55.49 -35.39 65.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.867 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.6 t -50.99 -38.05 48.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.895 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -114.37 -75.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 74.14 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -170.11 163.81 9.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.12 110.871 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 75.22 110.896 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.113 0 CA-C-O 120.796 0.248 . . . . 62.22 112.374 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.39 -33.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 71.11 112.484 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 94' ' ' CYS . 0.1 OUTLIER -137.21 162.86 32.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 73.54 111.119 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' THR . 3.4 m -34.39 -57.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.842 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' CYS . . . -34.86 -72.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.15 111.14 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 3.3 t-80 -54.89 -42.05 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.871 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.98 -58.03 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 63.32 111.124 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 71.9 mt -55.33 -47.44 77.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 72.34 111.131 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -55.8 -54.69 41.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.867 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.7 m -52.36 -55.87 18.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 73.3 111.165 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.2 mt -50.14 -58.41 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.911 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.59 -15.11 24.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 62.41 112.518 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.77 -12.28 45.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 74.53 110.922 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 m -122.31 -18.87 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.5 tp -49.19 -30.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 75.03 111.129 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.96 -69.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.45 110.868 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.38 -39.55 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 65.05 110.872 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 50.0 mt -55.88 -71.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.917 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -53.9 -65.86 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 64.51 110.899 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 109' ' ' LEU . 88.1 p -34.81 -58.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.855 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -54.72 -55.18 32.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 73.51 110.904 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.472 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -48.12 -56.37 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.23 111.117 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 mt -55.46 -42.72 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.23 111.08 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.34 -69.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.13 111.106 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -55.23 -46.92 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 m -46.04 146.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 75.01 110.86 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.425 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -98.76 -171.86 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 65.11 110.943 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.593 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 6.9 mp0 -44.19 -51.97 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 71.24 110.941 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.66 -65.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 72.51 110.887 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.425 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 43.5 m170 -49.21 -60.46 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.835 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.63 -38.0 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.884 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -47.1 87.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 71.01 110.88 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -57.44 -50.28 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.0 mt -56.83 -49.26 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.138 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -50.52 -50.8 52.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.858 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.2 ttm -56.18 -51.5 67.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.903 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 18.8 tp -53.67 -44.13 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 73.31 110.937 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.442 HD11 HG13 ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.39 -49.58 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 63.34 110.91 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.31 -49.91 66.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.861 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.83 -42.47 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 71.14 111.149 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 17.1 m0 -55.25 -56.46 19.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.949 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -55.03 -53.21 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.886 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -54.27 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 73.1 110.897 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 71.0 110.848 -179.786 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.79 0.329 . . . . 61.44 111.094 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.442 HG13 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -63.45 -27.7 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.21 111.137 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.16 -54.66 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.883 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.2 t -53.58 102.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.85 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -48.3 -27.21 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 74.4 110.896 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 47.1 t -51.24 -30.17 16.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 72.01 110.898 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -55.09 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.22 110.851 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -48.72 -45.61 39.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 73.53 111.07 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 6.4 mmm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 75.44 110.882 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 39.3 t30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.636 0.732 . . . . 74.42 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -8.44 23.62 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 71.05 112.347 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 70.43 110.897 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.881 0.372 . . . . 62.12 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -48.05 -26.45 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.883 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -46.71 -57.28 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 63.22 110.919 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -53.18 -51.71 61.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.886 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -55.9 -70.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.853 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.32 -44.93 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.2 111.108 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.19 -49.03 67.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 70.23 111.094 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -57.8 -53.02 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.54 111.148 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.9 tp -56.2 -53.4 57.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.911 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.07 -59.72 3.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 71.41 110.898 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 t -57.28 -29.18 63.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 60.32 110.868 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -54.99 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 75.13 110.907 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -57.83 -36.17 71.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 73.55 110.905 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.2 -14.58 11.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 74.53 110.865 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.521 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 73.15 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.876 0.369 . . . . 75.31 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -158.96 110.73 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.888 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.21 -53.33 35.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 75.13 112.487 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m -46.46 -53.18 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 71.51 110.836 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -54.18 -59.01 5.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 75.41 110.889 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.5 mt -49.53 -43.02 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.127 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -55.53 -59.75 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 72.2 110.876 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -48.22 52.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.896 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.9 -53.05 62.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.916 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.8 m -57.27 -71.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 74.23 111.122 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.5 t -41.45 -44.95 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 74.31 111.138 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -58.98 -56.77 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 72.33 110.938 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.53 -57.61 5.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 73.31 111.094 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.33 -48.55 78.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.942 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -57.05 -24.08 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.859 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -132.95 84.56 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.847 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.7 mm -78.05 -2.29 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 65.54 111.153 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -89.26 24.86 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.874 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.4 pt -152.31 29.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.13 111.164 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -57.94 -37.36 73.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 75.24 110.9 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -57.78 -73.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 60.32 110.853 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -46.24 20.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.24 110.955 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.2 mt -56.56 -71.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.54 111.136 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.1 mm -47.55 -47.69 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.131 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.9 m -57.16 -43.6 82.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.844 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -57.78 -67.97 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 75.54 110.948 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 pt -44.89 -45.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 70.42 111.177 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.35 -55.81 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 71.45 111.133 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -42.75 80.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 52.52 110.89 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 2.8 t80 -56.6 -38.75 72.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.915 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.488 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 37.2 p -63.4 -70.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 75.34 110.903 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.488 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -56.42 -26.69 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.44 110.861 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 53' ' ' TYR . 4.3 mt -44.05 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 74.3 110.924 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.668 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -94.33 169.49 9.69 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.603 0.716 . . . . 75.23 110.878 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.5 Cg_endo -69.77 -157.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 72.0 112.316 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' PRO . 56.7 t0 -30.02 -53.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.852 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' ASP . 65.5 m -34.0 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.89 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.668 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 7.2 m170 -59.89 -36.84 77.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 73.11 110.833 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 2.0 mmtt -47.71 -66.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 71.04 110.899 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.3 tp -52.36 -56.89 11.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.33 -46.59 35.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 62.14 112.46 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -53.55 56.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 75.02 110.86 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -44.74 -51.83 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 75.2 110.926 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -57.14 -50.07 73.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 62.33 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.1 mt -57.13 -55.44 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 72.34 111.156 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -56.7 -35.39 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 75.2 111.097 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -56.65 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.831 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -57.27 13.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 63.02 110.892 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.5 -45.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.21 111.133 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.48 -60.55 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 75.21 112.452 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -49.61 -54.35 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 74.31 110.863 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.67 -59.34 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.42 111.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -49.26 -48.69 45.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 75.23 110.916 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 tp -52.83 -61.4 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 72.01 110.917 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.64 -40.36 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.895 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -55.18 -72.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.898 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.0 t -55.38 -42.98 74.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 72.03 111.157 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -53.98 -37.09 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.916 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -51.9 -29.84 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.845 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -116.34 -75.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 75.43 110.884 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.56 139.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.892 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 72.34 110.885 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.119 0 CA-C-O 120.829 0.262 . . . . 75.11 112.315 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.26 -43.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 72.54 112.453 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.79 -174.99 5.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 53.1 111.118 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.0 m -44.58 -36.81 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.847 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.27 -70.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.079 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -54.02 -37.22 63.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.7 -56.12 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 63.31 111.092 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.17 -51.5 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.22 111.11 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -56.67 -57.38 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.922 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 55.3 m -48.78 -57.78 5.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 73.04 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 54.1 mt -49.69 -59.23 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.939 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.87 -15.07 26.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 64.33 112.465 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.96 -13.31 39.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 73.14 110.841 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 m -120.58 -18.55 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.155 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.5 tp -50.45 -29.16 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.4 111.171 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.487 ' HA ' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -51.95 -71.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 64.21 110.918 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.72 -40.21 75.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 75.33 110.866 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.5 mt -54.09 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.22 110.934 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 110' ' ' SER . 4.9 mt -55.12 -71.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.901 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 73.3 p -35.52 -57.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 54.22 110.851 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -54.57 -52.67 61.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 74.41 110.856 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.23 -49.92 40.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 72.55 111.147 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 109' ' ' LEU . 3.0 mt -56.1 -50.41 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 63.32 111.141 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.33 -62.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 73.43 111.099 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -24.23 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.882 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.5 m -85.05 159.58 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.53 110.872 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.47 -175.76 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.864 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.582 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 41.7 tt0 -42.22 -51.14 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.909 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.2 -71.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 74.13 110.921 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -46.49 -59.12 3.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -44.96 -38.94 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.913 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -62.32 -44.02 97.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 75.34 110.854 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -57.67 -47.84 81.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.865 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.66 -46.69 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 75.42 111.121 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.12 -57.17 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.52 110.863 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.6 ptm -56.93 -40.67 76.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.904 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 43.2 tp -54.17 -52.69 60.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 63.41 110.918 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.431 ' CD1' HG21 ' A' ' 145' ' ' ILE . 8.0 mt -55.83 -45.29 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 75.03 110.915 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -52.95 -51.41 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.842 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.08 -40.26 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 71.11 111.138 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -53.18 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 74.15 110.924 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.9 -37.41 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 75.31 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -55.87 -64.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.859 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.88 -179.804 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.325 . . . . 73.42 111.123 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 146' ' ' ARG . 0.0 OUTLIER -66.82 -27.79 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 75.01 111.203 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 145' ' ' ILE . 5.8 ttt180 -34.67 -54.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.893 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 91.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 70.23 110.873 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.39 -34.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 73.03 110.933 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 1.8 t -44.4 -34.51 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.866 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 151' ' ' ALA . 18.8 m-85 -58.96 -94.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.879 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 150' ' ' PHE . . . -34.58 -45.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.35 111.099 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.883 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.57 0.7 . . . . 73.12 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -14.85 36.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 72.15 112.338 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.42 110.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.528 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.844 0.354 . . . . 75.22 110.868 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.23 -14.09 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.893 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -53.26 -68.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 72.2 110.938 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 6' ' ' ASP . 8.0 p30 -52.68 -47.84 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.858 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -53.59 -70.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 75.24 110.9 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.43 -43.13 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 64.23 111.122 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.99 -48.09 70.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.109 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.4 m -57.73 -53.29 59.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 64.31 111.126 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.55 -50.92 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 64.33 110.911 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.91 -53.72 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 64.51 110.929 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -57.7 -30.39 65.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 55.35 110.862 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.08 -61.46 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.839 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' CB ' ' CE1' ' A' ' 61' ' ' HIS . 12.8 pttt -54.35 -36.83 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 73.21 110.928 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.14 -28.11 56.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 61.15 110.882 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 65.02 110.94 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.842 0.353 . . . . 73.45 111.07 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -100.33 127.43 46.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 72.54 110.843 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.77 -27.23 49.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 73.1 112.488 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.47 -54.2 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 71.52 110.865 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -50.56 -52.66 36.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.875 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt -50.99 -46.95 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.168 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -55.24 -52.1 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.878 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -51.22 -49.96 60.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.899 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mt -58.16 -47.59 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.914 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 m -57.75 -69.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 72.4 111.168 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -43.01 -45.11 4.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 70.15 111.163 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -58.16 -57.52 12.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.933 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.81 -56.86 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 73.43 111.105 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.39 -47.81 80.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 62.05 110.917 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -56.31 -24.81 45.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.845 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -132.89 85.11 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.854 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.4 mm -77.99 -1.38 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 64.22 111.108 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -90.41 21.57 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.918 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.414 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.4 pt -149.27 27.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.091 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -57.18 -35.69 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.892 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.4 t -58.65 -73.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.3 110.838 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.18 -46.63 23.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 75.5 110.921 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.7 mt -55.98 -72.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.05 111.127 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.8 mm -47.39 -45.05 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.11 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -59.19 -43.09 92.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 70.22 110.838 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.33 -65.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.915 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.8 pt -48.05 -46.38 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.3 111.132 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -56.68 -58.3 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 64.33 111.132 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.36 -47.8 75.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.831 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 3.0 t80 -54.2 -35.34 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.869 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 t -62.22 -75.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 72.22 110.848 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -26.52 59.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 73.01 110.878 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -40.99 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 75.34 110.89 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.636 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -94.32 170.16 8.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 64.45 110.903 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 59' ' ' ASP . 54.1 Cg_endo -69.73 -159.11 0.05 OUTLIER 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.694 2.263 . . . . 74.42 112.358 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -28.96 -53.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.883 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 59' ' ' ASP . 15.8 t -30.67 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.841 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.636 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.5 m80 -61.97 -47.16 86.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 75.01 110.904 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.485 ' HD3' ' HA ' ' A' ' 112' ' ' ALA . 11.4 mttp -34.2 -64.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 74.53 110.907 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.5 tp -57.91 -54.99 40.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.901 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.88 -59.14 7.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 74.51 112.475 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.8 p -48.75 -53.57 18.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 75.24 110.897 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.18 -54.68 4.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.488 . . . . 70.51 110.944 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -56.38 -48.85 76.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 72.32 110.917 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.2 mt -57.01 -56.44 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 74.3 111.152 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.0 mt -55.54 -37.01 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.53 111.084 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.22 -57.65 11.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.912 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 t -55.69 -54.15 47.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 63.11 110.835 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.1 mt -55.09 -46.58 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 74.24 111.126 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.29 -57.82 16.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 72.22 112.478 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -55.99 12.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.5 110.893 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.13 -54.89 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.01 111.115 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -51.26 -50.24 59.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.01 110.916 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp -51.27 -58.08 7.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 73.23 110.875 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -42.51 68.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.863 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -55.59 -71.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.884 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 t -54.48 -45.34 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.125 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -52.05 -37.66 54.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 70.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.21 -30.22 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 74.33 110.863 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -118.77 -76.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.23 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.8 t -168.85 158.45 8.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.818 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.1 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 64.1 110.867 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.23 0.116 0 CA-C-O 120.81 0.254 . . . . 71.22 112.315 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.54 -31.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 73.23 112.488 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -166.07 -175.22 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.299 . . . . 73.42 111.199 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.19 -52.02 7.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 73.54 110.887 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.62 -66.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.33 111.127 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -52.65 -39.65 62.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.849 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.34 -58.01 9.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.149 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 68.3 mt -55.02 -45.08 76.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.25 111.163 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -55.82 -52.06 65.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.933 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.8 m -55.3 -51.96 65.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 72.32 111.114 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.2 mt -53.1 -56.68 14.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 73.44 110.914 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -57.83 -17.71 29.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 74.03 112.489 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.32 -14.4 43.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 73.42 110.851 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.36 -18.75 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.137 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.6 tp -51.99 -26.67 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.02 111.11 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.474 ' HA ' ' HB2' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -55.49 -72.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 75.1 110.918 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -56.16 -42.29 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.0 mt -55.11 -60.71 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 70.22 110.915 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 110' ' ' SER . 15.0 mt -53.79 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 54.41 110.899 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 109' ' ' LEU . 7.5 p -37.17 -63.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.906 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -49.39 -50.47 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 63.01 110.927 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.485 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -47.75 -56.91 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.51 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -49.08 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.158 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.19 -66.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.091 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -45.84 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.877 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.489 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 73.3 p -60.59 163.11 5.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.842 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.432 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.5 OUTLIER -100.1 178.06 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 74.44 110.877 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.593 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 0.9 OUTLIER -39.05 -52.63 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.92 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.89 -72.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 62.25 110.866 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.489 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 16.0 m170 -45.44 -58.66 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.859 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.52 -39.37 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.21 110.922 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -60.9 -44.55 96.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.893 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -57.17 -48.34 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 24.1 mt -56.91 -49.38 79.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 65.42 111.176 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -52.22 53.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.869 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.9 tpp -55.68 -49.53 72.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.904 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 20.7 tp -51.32 -45.73 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.891 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.71 -49.01 74.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.948 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -51.08 62.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.818 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.8 mt -57.86 -44.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 73.34 111.141 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -51.22 -58.38 6.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.894 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.5 -47.25 76.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 74.54 110.908 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -55.27 -54.65 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.879 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.899 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.708 0.289 . . . . 74.32 111.078 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -21.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 73.14 111.143 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -39.09 -54.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.893 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 p -74.3 89.43 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 71.23 110.874 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -40.33 -38.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 73.12 110.943 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 4.0 m -39.18 -41.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.878 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -57.71 -87.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.847 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -43.5 -48.14 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 64.33 111.118 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.891 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.593 0.711 . . . . 75.41 110.936 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -7.68 21.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 72.22 112.382 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.927 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.86 0.362 . . . . 72.23 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -56.82 -32.85 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.54 110.899 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -57.59 -55.04 40.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 72.42 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.7 -53.43 54.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 61.51 110.861 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -54.59 -69.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.25 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.38 -45.42 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.41 111.147 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.44 -50.62 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 m -56.69 -53.5 57.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 72.12 111.187 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 9.8 tp -55.7 -53.62 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.87 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.04 -59.92 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 73.45 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -30.78 54.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 72.3 110.841 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -64.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 72.52 110.893 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -55.86 -36.52 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.2 110.84 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.02 -24.55 39.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 72.35 110.875 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 60.13 110.941 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.799 0.333 . . . . 74.15 111.132 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.17 124.67 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.86 -36.89 51.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 75.41 112.513 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -51.34 57.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 74.05 110.826 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -52.25 -62.45 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 75.33 110.863 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.3 mt -47.46 -42.87 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 65.22 111.119 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -56.4 -54.19 48.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.926 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -48.48 64.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 72.31 110.913 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.9 mt -57.57 -52.11 66.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.946 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.3 m -57.91 -71.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 74.2 111.1 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.6 t -41.33 -44.29 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 74.54 111.173 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -58.68 -56.85 16.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.933 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.13 -56.64 8.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 73.34 111.091 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.54 -47.42 82.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 75.04 110.931 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -57.16 -23.89 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.849 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -133.92 85.07 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.846 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.5 mm -77.94 -2.84 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 73.32 111.134 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -88.82 23.49 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 62.51 110.867 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.408 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.6 pt -151.5 30.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.1 111.165 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -58.04 -37.18 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.869 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.3 t -58.14 -73.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.847 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.69 -47.13 20.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 75.21 110.878 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.7 mt -55.96 -72.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 74.35 111.139 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.4 mm -46.84 -47.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.43 111.124 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 m -57.01 -42.23 79.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.855 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 tp -58.33 -65.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.13 110.929 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.0 pt -49.16 -44.95 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 71.12 111.156 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.2 mt -55.71 -63.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 63.45 111.166 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.85 -48.4 75.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 72.13 110.883 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.437 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 1.5 t80 -51.24 -40.03 57.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.922 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.599 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 25.6 p -62.25 -77.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.907 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.561 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -41.61 -34.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 71.41 110.88 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.4 mt -58.36 -77.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.952 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.42 155.13 1.35 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 75.43 110.869 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -155.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.733 2.289 . . . . 71.41 112.353 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.441 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 5.8 p-10 -40.08 -47.07 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.888 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -44.11 -40.06 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 74.35 110.853 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.22 -47.23 84.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.845 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.523 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -45.01 -63.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.91 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.9 tp -61.3 -58.23 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.975 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.56 -70.93 0.71 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 73.13 112.484 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -39.06 -53.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 72.42 110.865 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mt -43.89 -53.66 5.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.865 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -58.07 -48.87 78.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.8 mt -56.15 -59.56 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 75.02 111.14 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.9 mt -56.08 -33.07 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 74.34 111.155 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -57.42 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 74.31 110.876 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -55.8 -57.0 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.888 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.0 mt -55.22 -45.57 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 74.02 111.132 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.61 -62.89 5.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 74.14 112.491 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 mtm105 -48.47 -54.32 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 75.32 110.882 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.78 -60.51 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 54.32 111.112 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -48.77 -49.23 39.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.866 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.9 tp -51.93 -61.87 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 75.14 110.923 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -41.47 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.903 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.95 -72.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 70.41 110.878 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 t -55.48 -42.83 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 64.53 111.153 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -51.82 -39.21 58.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -51.16 -30.39 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.872 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -112.27 -74.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 70.33 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.54 133.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.838 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 74.41 110.926 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.796 0.248 . . . . 73.12 112.372 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.61 -43.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 70.2 112.504 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.24 -174.27 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 75.2 111.143 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 88.6 m -45.43 -35.32 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 70.33 110.906 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.47 -71.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 64.12 111.102 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.403 ' HA ' HD21 ' A' ' 99' ' ' ASN . 34.0 t-80 -53.26 -36.32 61.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.54 -54.87 41.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 64.45 111.086 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 74.1 mt -55.58 -58.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.136 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.403 HD21 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -55.37 -45.19 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 71.23 110.886 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.5 m -56.03 -58.95 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 71.35 111.138 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 35.7 mt -51.11 -55.52 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 75.1 110.935 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -57.47 -17.08 24.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 75.21 112.506 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.86 -14.31 48.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 75.1 110.892 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.9 -17.18 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 73.14 111.085 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.3 tp -53.29 -26.24 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 73.33 111.153 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -68.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.911 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -55.71 -44.03 77.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.7 mt -55.24 -69.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.934 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 110' ' ' SER . 1.2 mt -52.17 -63.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 75.41 110.946 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 109' ' ' LEU . 43.0 m -36.99 -71.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 65.35 110.889 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.06 -41.05 16.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 64.53 110.817 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -57.07 -60.95 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.071 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -55.52 -45.58 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 75.31 111.164 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.46 -69.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.0 111.126 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -50.55 63.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.883 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.487 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 96.1 p -48.27 145.74 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 70.14 110.829 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 121' ' ' LYS . 0.4 OUTLIER -98.05 -177.87 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 73.34 110.89 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 64.9 tt0 -35.82 -55.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.949 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.44 -72.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.848 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.487 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 18.8 m170 -45.46 -58.86 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 71.02 110.875 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.42 -38.21 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.922 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -61.46 -43.75 98.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.892 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -58.3 -45.09 88.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.89 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 40.3 mt -61.82 -46.32 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 75.02 111.144 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -55.34 -60.1 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.847 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.8 ptm -52.21 -42.34 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 71.01 110.846 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 39.5 tp -55.39 -46.58 76.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 74.12 110.97 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.441 ' CD1' HG21 ' A' ' 145' ' ' ILE . 0.1 OUTLIER -56.21 -49.45 74.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.895 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -51.93 -51.48 56.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.851 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.64 -41.67 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 72.4 111.117 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -55.35 -56.12 23.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.878 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.36 -52.71 43.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -56.9 -72.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 73.31 110.869 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 74.12 110.867 -179.813 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.748 0.309 . . . . 65.34 111.088 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.441 HG21 ' CD1' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -63.79 -26.66 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.11 111.097 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -38.58 -51.96 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 74.53 110.88 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.5 t -57.06 98.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 42.32 110.829 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.55 -28.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 73.43 110.875 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 15.5 t -49.01 -35.2 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 64.22 110.865 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -56.77 -86.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.14 110.899 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -45.6 -47.2 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 74.02 111.085 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 63.7 mmm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.863 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.632 0.73 . . . . 73.13 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -11.26 30.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.622 2.214 . . . . 72.02 112.357 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.9 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.875 0.369 . . . . 75.04 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -46.9 -29.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.865 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -49.93 -57.32 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.947 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.41 -51.65 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.52 110.893 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -56.03 -69.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.89 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.94 -45.24 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 75.11 111.134 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.29 -49.53 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 72.13 111.083 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.8 m -57.64 -53.79 54.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 64.44 111.134 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 11.2 tp -55.51 -54.18 47.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.933 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -49.58 -55.55 13.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.923 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -56.13 -31.54 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 72.31 110.821 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.52 -62.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.888 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -56.84 -36.19 69.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 73.35 110.901 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -56.44 -23.77 40.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 72.52 110.816 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.926 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.829 0.347 . . . . 74.13 111.116 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.13 125.73 31.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 65.13 110.895 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.35 -38.03 40.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 75.24 112.508 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -55.08 -47.6 74.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 75.53 110.893 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -52.83 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.874 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.1 mt -47.53 -43.62 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 53.25 111.135 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -56.05 -53.23 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.898 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.76 -47.57 64.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 75.03 110.907 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.87 -51.8 68.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.901 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 m -57.51 -70.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.154 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.2 t -42.68 -45.29 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 75.43 111.195 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -58.25 -54.46 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 65.13 110.931 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.17 -57.08 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 44.32 111.093 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.42 -46.64 83.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.915 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -55.59 -27.47 49.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 74.52 110.856 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -130.54 84.54 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.831 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.4 mm -79.5 2.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.132 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -92.97 17.3 10.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 73.54 110.856 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.0 pt -147.56 33.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 74.5 111.124 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -59.44 -34.14 72.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.871 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 33.1 t -59.73 -73.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.831 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.25 -47.61 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.914 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -56.56 -73.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.16 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.4 mm -45.78 -49.75 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.154 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -56.91 -41.74 78.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 72.1 110.848 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.6 tp -57.6 -66.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 74.3 110.891 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.6 pt -48.8 -44.7 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.54 111.14 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.445 ' O ' ' OG ' ' A' ' 54' ' ' SER . 74.3 mt -55.7 -63.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 73.4 111.161 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -49.88 74.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 73.4 110.84 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.42 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 3.6 t80 -48.73 -41.56 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.2 110.959 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 56.3 p -62.24 -76.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 60.12 110.838 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.519 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -41.91 -35.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 74.22 110.888 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.29 -77.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 75.2 110.916 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.4 m -47.41 150.14 1.72 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.635 0.731 . . . . 75.11 110.857 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -153.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.734 2.29 . . . . 75.32 112.315 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.86 -46.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.82 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.5 t -43.22 -42.61 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 61.42 110.831 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.527 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -58.06 -46.84 84.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 61.51 110.857 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.527 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 12.0 mtmt -42.41 -67.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.876 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.22 -59.72 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 73.03 110.953 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -49.71 -71.85 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.722 . . . . 74.24 112.449 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLY . 33.4 t -37.25 -61.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 71.35 110.871 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.42 -53.8 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.891 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -57.91 -47.69 82.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 75.02 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.8 mt -56.41 -54.19 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.51 111.134 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.1 mt -56.29 -38.49 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.42 111.157 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.51 -54.84 42.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 74.04 110.853 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.66 -64.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.843 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.3 mt -51.67 -44.65 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 75.01 111.134 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.47 -59.71 8.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 64.54 112.559 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -51.96 -53.8 37.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 74.4 110.842 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.09 -63.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 63.32 111.118 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -48.64 -44.16 37.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 71.23 110.929 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -54.24 -58.55 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 72.21 110.928 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -39.72 67.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 62.45 110.846 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -55.96 -73.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.916 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.41 -35.98 65.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 70.34 111.137 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.75 -48.0 73.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 72.31 110.88 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.0 t -54.73 -35.31 63.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.848 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -179.42 152.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 72.31 110.913 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 t 64.04 106.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.903 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 75.41 110.924 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.23 0.113 0 CA-C-O 120.833 0.264 . . . . 73.12 112.312 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.52 -49.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 74.31 112.508 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.76 -175.21 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 70.55 111.104 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.3 p -40.59 -52.05 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 65.32 110.867 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.46 -68.0 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.34 111.043 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -50.44 -39.91 48.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 74.44 110.825 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.59 -52.17 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.11 111.141 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 39.6 mt -56.33 -58.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.4 111.153 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.52 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.857 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.6 m -56.62 -54.19 48.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 64.52 111.142 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.8 mt -55.16 -53.95 49.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.41 110.89 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.76 -14.98 24.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 73.01 112.468 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.91 -10.0 46.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 65.34 110.904 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.5 -19.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 73.03 111.148 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.6 tp -50.82 -31.42 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.24 111.147 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.29 -70.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.927 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.55 -37.71 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.835 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.64 -74.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 62.5 110.919 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -51.81 -60.29 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.939 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' LEU . 88.6 p -37.64 -63.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.836 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -52.47 -46.57 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 71.31 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.454 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.64 -60.85 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 55.55 111.051 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.2 mt -51.08 -47.34 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.15 111.112 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.45 -69.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 71.53 111.147 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -53.97 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 63.21 110.901 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.484 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 96.2 p -43.32 143.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.889 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.501 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -91.27 -174.94 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 64.21 110.88 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 20.0 tt0 -43.18 -54.03 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.932 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.51 -65.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 71.23 110.871 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.501 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 35.7 m170 -48.61 -61.08 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.873 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -47.96 -35.28 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 72.43 110.864 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -60.19 -54.63 43.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 64.15 110.891 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -51.22 -48.6 62.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 74.43 110.868 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.77 -51.12 71.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.122 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -49.37 -53.29 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 71.55 110.842 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.07 -46.2 75.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.835 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 19.4 tp -55.27 -46.77 76.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 75.11 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.6 mt -56.15 -49.29 74.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 75.54 110.878 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -52.49 -50.45 62.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 64.11 110.856 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 68.2 mt -57.28 -42.04 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 71.42 111.106 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -55.1 -56.36 20.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 71.24 110.903 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.27 -55.51 30.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.893 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -72.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 75.44 110.832 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.884 -179.747 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.807 0.337 . . . . 75.22 111.052 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.422 ' H ' ' CD1' ' A' ' 145' ' ' ILE . 0.0 OUTLIER -67.07 -24.3 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.23 111.084 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -43.95 -52.67 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.864 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.5 t -55.51 100.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 52.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -28.86 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 74.13 110.944 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.5 m -49.73 -29.51 7.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 60.23 110.874 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -57.89 -95.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.852 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -39.58 -38.43 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.4 111.075 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 22.7 mtp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.871 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1008 ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' B' 1009 ' ' PRO . 15.8 t-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.604 0.716 . . . . 73.02 110.868 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1009 ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' B' 1008 ' ' ASN . 53.7 Cg_endo -69.82 -17.82 37.1 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 62.23 112.341 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.885 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.884 0.373 . . . . 65.51 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -46.45 -29.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.87 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -50.23 -56.81 9.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 72.24 110.965 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -53.21 -51.82 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 62.35 110.84 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -55.85 -69.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.884 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.88 -44.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 72.35 111.111 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.8 -49.35 68.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.35 111.079 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.3 m -57.39 -52.69 64.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 75.13 111.146 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tp -55.89 -56.65 18.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.923 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.61 -57.63 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.865 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 t -56.48 -29.89 62.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 62.15 110.855 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -62.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.85 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -56.18 -34.44 66.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.925 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -55.81 -22.03 22.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 74.41 110.844 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.1 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 74.01 110.929 -179.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.842 0.353 . . . . 72.32 111.149 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.4 m -90.26 126.54 35.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 70.23 110.857 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.04 -26.68 49.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 75.04 112.545 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -49.33 -57.81 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 73.04 110.847 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -49.37 -53.91 20.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.869 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.8 mt -50.91 -45.2 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 73.14 111.132 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -55.35 -54.55 42.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 75.45 110.878 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.97 -50.13 61.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 75.4 110.901 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -57.93 -52.06 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.915 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 m -57.02 -71.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.168 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -42.04 -43.72 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 75.44 111.156 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -58.07 -57.15 14.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.901 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.07 -51.16 44.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 63.44 111.076 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.18 -48.83 73.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 75.1 110.884 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -56.9 -30.61 64.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.841 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -128.74 86.14 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.885 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 mm -80.77 1.88 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 74.44 111.147 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -90.23 14.66 12.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 54.34 110.869 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.9 pt -139.95 31.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.155 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -58.58 -36.61 74.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.14 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -58.38 -73.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.1 110.878 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.13 -47.92 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 72.45 110.899 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.5 mt -55.95 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 71.32 111.152 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.8 mm -47.44 -49.57 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 73.02 111.086 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 m -57.05 -42.79 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.86 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.3 tp -57.54 -67.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.35 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 pt -46.94 -45.92 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 74.04 111.085 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.5 mt -55.79 -62.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.156 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -51.69 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.863 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -49.82 -38.34 34.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 73.33 110.901 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.623 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 4.6 p -63.58 -75.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 55.11 110.873 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.623 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -42.04 -35.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 75.33 110.829 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.17 -75.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.943 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.51 151.85 1.83 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 64.42 110.92 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.41 ' HB2' ' H ' ' A' ' 59' ' ' ASP . 54.0 Cg_endo -69.73 -153.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.713 2.275 . . . . 71.22 112.36 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' H ' ' HB2' ' A' ' 58' ' ' PRO . 14.6 t70 -39.4 -45.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 71.34 110.84 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -44.19 -41.84 6.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -59.07 -47.89 83.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 72.03 110.881 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.532 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 40.6 mttm -44.08 -69.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.904 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.33 -57.59 9.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.947 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -51.72 -75.54 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 70.0 112.5 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' GLY . 3.5 p -38.12 -48.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 62.1 110.867 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 mt -45.95 -55.44 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 73.53 110.933 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -57.61 -44.47 85.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.922 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.5 mt -56.83 -57.61 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 73.55 111.133 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.9 mt -55.73 -36.34 42.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 74.03 111.154 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.13 -54.41 47.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 74.4 110.853 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.8 m -55.38 -59.86 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.02 110.864 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.8 mt -54.45 -51.03 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 75.44 111.133 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.34 -54.0 34.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 60.31 112.489 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -58.82 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 72.52 110.843 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.33 -53.25 58.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 63.14 111.104 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -52.09 -49.93 62.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.894 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -60.67 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 74.41 110.919 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.1 -41.09 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.887 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -55.81 -72.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.896 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.7 t -54.68 -43.27 72.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 71.15 111.164 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.84 -37.06 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -51.81 -30.94 25.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 75.53 110.812 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -114.63 -75.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.12 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -171.98 140.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.883 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.892 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.833 0.264 . . . . 73.41 112.313 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.86 -44.87 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 74.31 112.495 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.37 -173.72 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 72.24 111.114 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 80.1 m -45.2 -44.4 10.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.04 110.867 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.03 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 55.15 111.107 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -52.75 -34.97 55.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.37 -58.13 9.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 64.25 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 mt -56.37 -47.52 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.52 111.129 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -56.52 -54.2 48.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.923 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.3 m -53.47 -49.04 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.14 111.126 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.7 mt -53.32 -56.37 17.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 73.41 110.912 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.57 -15.14 24.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 75.34 112.519 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.41 -15.51 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 61.41 110.876 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 m -119.11 -21.92 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 75.24 111.117 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.6 tp -49.91 -30.25 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 72.32 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.403 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -45.29 -69.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.898 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.93 -39.91 72.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 63.52 110.928 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 43.7 mt -56.38 -71.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 71.35 110.923 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -55.42 -62.84 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 65.15 110.917 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 109' ' ' LEU . 97.0 p -34.58 -60.55 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.855 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -55.26 -52.79 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.11 110.877 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -48.41 -57.19 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 65.35 111.107 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 mt -54.78 -48.04 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.169 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.13 -68.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.078 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -52.74 44.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.919 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 97.0 p -47.0 144.32 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 75.45 110.842 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 118' ' ' GLN . 0.7 OUTLIER -99.24 -178.09 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 73.54 110.901 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.568 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 30.1 tt0 -34.77 -55.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 43.42 110.912 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.22 -73.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 26.3 m170 -45.7 -58.64 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.848 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.58 -38.06 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.873 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.25 -45.62 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.871 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -57.27 -48.66 78.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 73.53 110.934 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.24 -51.61 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.34 111.113 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -49.37 -53.99 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.53 110.866 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.78 -48.35 72.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.869 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 12.5 tp -51.96 -47.0 64.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 72.5 110.94 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -57.2 -49.33 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.931 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -50.83 -54.39 24.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 63.23 110.888 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.1 mt -58.07 -40.63 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 71.45 111.132 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.442 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 31.0 m0 -51.16 -61.46 2.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.906 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -55.78 -47.68 76.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 71.23 110.889 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -55.72 -68.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.902 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.833 -179.808 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.793 0.33 . . . . 62.54 111.099 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.441 HG23 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -66.81 -23.3 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.134 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -39.65 -53.27 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.91 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.7 t -63.75 105.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.895 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -46.9 -28.13 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 71.5 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 94.9 m -47.86 -30.13 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 55.35 110.862 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -57.61 -95.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.877 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -40.15 -37.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 71.41 111.127 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 36.7 mtp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.85 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 15.0 p30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.644 0.735 . . . . 74.21 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -9.6 26.53 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 73.43 112.348 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 64.53 110.96 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.342 . . . . 72.21 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -48.34 -26.41 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.844 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -48.41 -58.45 4.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.955 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -52.64 -50.44 63.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 70.1 110.927 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -55.7 -70.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.871 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -47.63 -46.01 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 74.03 111.089 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.26 -47.23 69.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.061 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.7 m -58.0 -54.56 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 72.42 111.116 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -55.86 -51.46 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.949 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.09 -54.09 17.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.909 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 t -56.98 -32.18 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.12 110.874 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.93 -61.19 2.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -55.67 -32.51 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.895 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -55.31 -23.17 22.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.915 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 75.23 110.873 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.831 0.348 . . . . 74.13 111.133 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -119.63 110.44 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.43 110.876 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.61 -51.98 53.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 62.12 112.497 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.6 t -48.61 -43.61 36.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 63.35 110.859 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -54.64 -58.95 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 71.14 110.896 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.0 mt -50.03 -42.96 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 73.24 111.14 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -56.3 -57.64 11.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 71.3 110.95 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -50.08 -50.54 47.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.911 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -56.05 -51.42 67.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.1 110.91 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 m -57.37 -71.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.41 111.166 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.3 t -43.8 -44.35 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 74.22 111.132 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -56.6 -57.63 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.919 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.77 -52.51 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 72.2 111.119 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.6 -50.91 71.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.95 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -56.68 -28.64 61.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 62.25 110.876 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -127.29 83.92 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.885 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 mm -79.8 0.4 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 75.41 111.106 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -92.17 21.88 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.895 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.4 pt -148.3 27.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 74.02 111.144 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -34.43 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 61.54 110.903 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -58.67 -72.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 64.14 110.885 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.3 -45.58 45.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.01 110.913 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 57.0 mt -57.07 -69.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 75.44 111.123 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mm -49.33 -46.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 75.3 111.112 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 m -57.93 -43.48 86.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 75.31 110.872 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.6 tp -57.72 -66.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.505 . . . . 72.13 110.899 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.5 pt -45.46 -47.0 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 75.32 111.112 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.9 mt -55.51 -56.64 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 75.52 111.182 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.33 -46.84 79.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 65.32 110.851 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.493 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 2.6 t80 -53.53 -35.81 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.55 110.938 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 t -62.01 -74.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 74.24 110.883 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -24.61 58.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 73.52 110.864 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -42.96 -80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.911 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.673 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -88.97 170.59 10.65 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.716 . . . . 75.44 110.887 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.505 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.84 -159.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 75.34 112.28 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -30.46 -51.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.835 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 59' ' ' ASP . 58.5 m -32.62 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.848 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.673 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.5 m80 -59.61 -47.83 84.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 73.13 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.52 ' HD2' ' HA ' ' A' ' 112' ' ' ALA . 2.3 mtmp? -31.8 -68.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.894 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.53 -51.78 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 72.5 110.925 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.45 -59.76 7.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 72.01 112.494 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -54.66 14.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 75.03 110.844 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -43.33 -51.93 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.903 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -57.12 -50.11 73.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 73.03 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.6 mt -57.24 -54.59 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 74.12 111.139 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.5 mt -55.81 -36.66 44.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 72.14 111.096 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -54.89 41.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.892 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -56.82 -59.44 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 72.51 110.877 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.9 mt -53.62 -47.36 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 71.11 111.156 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.65 -56.81 18.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 71.51 112.457 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.2 -56.88 9.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 73.11 110.897 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.96 -50.87 67.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.094 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -55.41 -47.1 76.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.5 110.893 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.6 tp -53.44 -52.95 57.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 71.14 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -43.38 77.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.839 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -56.05 -71.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.869 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.99 -35.84 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 51.33 111.163 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -49.8 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.23 110.871 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -24.13 29.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 73.51 110.825 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -119.1 -165.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 71.44 110.847 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -87.48 105.02 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.872 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.9 p30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 72.11 110.875 -179.917 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.118 0 CA-C-O 120.836 0.265 . . . . 73.54 112.337 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.38 -42.2 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 73.02 112.461 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.76 -175.49 5.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.328 . . . . 74.41 111.157 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 p -45.31 -50.91 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 72.24 110.899 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.54 -66.77 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.135 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -52.24 -37.45 55.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.853 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.02 -58.69 6.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 63.14 111.104 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 82.9 mt -53.39 -44.08 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 75.21 111.109 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -55.27 -50.81 68.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.893 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.0 m -56.24 -54.05 49.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.31 111.141 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.7 mt -51.13 -57.08 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.15 110.926 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.58 -15.52 25.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 64.44 112.467 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.68 -10.9 38.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 74.13 110.903 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.8 m -121.27 -15.51 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 75.2 111.168 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.4 tp -50.26 -29.79 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.43 111.116 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.45 110.917 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -56.44 -39.75 73.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 63.42 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.2 mt -56.83 -71.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 74.14 110.924 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 113' ' ' ILE . 0.4 OUTLIER -51.66 -64.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.938 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 109' ' ' LEU . 96.2 p -38.05 -62.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 70.43 110.851 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.45 -43.31 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 73.03 110.909 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.52 ' HA ' ' HD2' ' A' ' 62' ' ' LYS . . . -57.09 -60.04 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 70.34 111.073 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -56.27 -40.09 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.4 111.162 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.66 -70.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.02 111.123 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.416 ' HB3' ' CE ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -54.31 -47.93 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 75.34 110.923 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.46 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 89.6 p -49.08 141.04 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 54.35 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 121' ' ' LYS . 3.1 p30 -90.36 -173.86 3.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.917 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.605 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 4.7 mt-30 -43.49 -52.74 5.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.931 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.53 -67.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.46 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 12.0 m170 -47.88 -59.31 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.816 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.605 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.41 -39.15 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.907 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.47 -44.52 96.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.907 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -58.35 -50.18 74.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 72.44 110.851 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.0 mt -56.83 -49.19 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 73.11 111.109 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -54.22 27.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.909 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.47 -49.33 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.855 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 50.2 tp -52.28 -46.87 66.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.868 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.404 HD11 ' CG1' ' A' ' 145' ' ' ILE . 1.1 tt -56.25 -48.65 76.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.956 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -52.91 -49.28 66.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.866 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.06 -42.14 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.121 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -54.17 -58.37 7.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 73.4 110.919 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.75 -53.03 61.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 70.34 110.855 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -55.24 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 75.15 110.879 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 75.3 110.898 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.825 0.345 . . . . 72.33 111.087 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.404 ' CG1' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -66.89 -21.52 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.43 111.065 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -45.1 -51.54 10.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.835 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 81.8 p -60.67 98.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.886 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -46.54 -34.03 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 75.55 110.884 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.1 p -45.69 -30.91 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 75.42 110.881 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -55.5 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 72.42 110.849 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -48.12 -47.03 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 75.41 111.102 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.91 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.629 0.728 . . . . 74.21 110.864 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.44 25.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.672 2.248 . . . . 74.24 112.342 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 75.03 110.886 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.887 0.375 . . . . 73.42 110.846 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -49.61 -27.07 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.859 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -50.1 -56.58 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.906 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.13 -50.27 67.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.894 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -55.49 -69.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 64.4 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -44.33 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 62.42 111.151 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.92 -50.12 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.23 111.12 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.7 m -57.15 -52.79 63.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.137 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 12.5 tp -56.6 -54.31 47.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 73.54 110.899 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.61 -60.72 2.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 74.02 110.892 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.2 t -55.25 -30.72 60.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.885 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 64.5 110.88 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -55.51 -36.13 66.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 73.01 110.93 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.52 -27.45 57.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.862 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 70.01 110.911 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.793 0.33 . . . . 74.32 111.157 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.17 127.87 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.877 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.56 -36.39 64.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 70.21 112.496 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.82 -52.41 41.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 65.34 110.841 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -51.4 -60.23 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.931 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 65.0 mt -48.28 -44.5 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 63.3 111.14 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -55.07 37.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.889 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -50.51 -48.69 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.12 110.919 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.99 -51.84 67.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 74.21 110.91 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.7 m -57.81 -71.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.161 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 t -41.5 -45.03 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 74.53 111.181 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -56.69 -57.16 13.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.946 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.3 -51.47 44.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 73.54 111.127 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.21 -49.58 75.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.911 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -57.1 -26.73 60.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 64.44 110.84 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -129.99 85.06 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.808 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.4 mm -80.27 -1.01 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 72.1 111.172 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -90.96 21.94 3.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.861 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.9 pt -147.26 31.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.23 111.143 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -35.55 71.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.892 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -58.68 -72.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 74.3 110.878 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.99 -47.56 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 75.41 110.903 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.3 mt -55.83 -69.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.1 111.104 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -47.98 -48.96 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 73.41 111.141 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.4 m -56.69 -42.47 79.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.873 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 tp -58.27 -66.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.922 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.6 pt -47.14 -44.31 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 75.5 111.084 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.43 ' O ' ' OG ' ' A' ' 54' ' ' SER . 44.7 mt -55.69 -59.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 72.03 111.082 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -58.55 -49.11 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.86 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.414 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -50.66 -41.86 55.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 71.14 110.934 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 60.6 p -62.53 -73.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 74.22 110.901 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.478 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -43.25 -33.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 74.15 110.887 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 52' ' ' ASP . 35.1 mt -61.17 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 65.25 110.956 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.571 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -50.09 141.72 14.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.627 0.727 . . . . 73.24 110.896 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -100.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 72.22 112.337 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.47 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 3.1 p-10 -69.84 -54.16 14.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 71.53 110.919 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -38.34 -49.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 65.24 110.9 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.571 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -55.58 -53.55 55.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.45 110.807 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.554 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 9.1 mtmm -35.88 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.874 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tp -63.81 -58.34 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.962 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.7 -77.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 74.32 112.533 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' GLY . 0.7 OUTLIER -36.86 -51.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 75.13 110.84 -179.771 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.8 mt -45.84 -57.33 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.908 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -57.04 -42.21 80.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.99 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -55.93 -57.27 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 74.14 111.101 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.35 -34.56 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.11 111.116 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -57.64 11.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.893 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -56.72 -62.13 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 75.23 110.864 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.5 mt -51.94 -46.54 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 73.15 111.157 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.5 -57.41 13.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 75.11 112.447 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.78 -57.36 9.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 72.12 110.837 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.98 -57.41 11.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 70.42 111.093 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -50.33 -49.79 52.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.92 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -59.97 3.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 75.21 110.925 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -41.93 63.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 72.03 110.871 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -56.69 -75.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 71.13 110.852 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.2 t -51.55 -35.12 39.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 73.03 111.177 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -55.19 -52.17 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.876 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -55.89 -35.59 66.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.86 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.65 159.58 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.873 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m 64.36 96.35 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.872 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 70.4 110.875 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.129 0 CA-C-O 120.824 0.26 . . . . 70.42 112.35 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.81 -46.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 64.42 112.487 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -158.96 -173.86 4.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 71.04 111.089 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 68.9 m -45.66 -40.68 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -43.27 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.51 111.089 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -52.83 -35.36 57.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 72.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.16 -57.99 9.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 74.32 111.104 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.4 mt -56.29 -47.34 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.3 111.156 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -56.58 -55.43 33.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 64.03 110.899 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.1 m -51.39 -53.28 38.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 70.02 111.156 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.3 mt -51.01 -56.55 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.905 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.71 -15.56 26.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.69 -0.767 . . . . 72.44 112.49 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.78 -12.29 48.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 73.44 110.849 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 m -122.13 -18.94 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.54 111.146 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.0 tp -49.95 -29.73 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.25 111.132 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.909 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -56.02 -38.9 71.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.894 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.9 mt -56.24 -71.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 73.04 110.933 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -51.95 -63.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 75.23 110.91 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 109' ' ' LEU . 83.8 p -36.61 -62.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.835 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.96 -49.46 50.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HA ' ' HD2' ' A' ' 62' ' ' LYS . . . -55.63 -55.83 27.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 55.4 111.129 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.5 mt -55.6 -44.09 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 74.23 111.167 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.33 -68.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 52.21 111.092 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -55.71 -50.58 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 75.2 110.874 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.526 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 82.6 p -45.85 139.4 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.834 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -89.58 -168.68 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.877 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 8.1 tp-100 -46.98 -54.45 10.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.93 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.77 -64.25 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 70.24 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.526 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 26.7 m170 -48.92 -60.1 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.849 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -49.03 -34.63 13.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.43 110.915 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -53.76 54.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 73.15 110.874 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -53.59 -43.5 68.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.886 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 28.4 mt -61.68 -45.1 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.05 111.164 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -55.5 -59.11 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.87 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 22.3 ptm -52.98 -45.18 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 75.53 110.889 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 18.0 tp -54.35 -47.55 72.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.918 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.448 HD11 HG23 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.75 -49.29 75.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.882 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -50.21 -51.89 40.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 53.0 110.867 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 53.4 mt -57.01 -42.21 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.11 111.136 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -54.74 -55.42 30.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.25 110.941 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -54.86 -49.03 72.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.887 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -54.67 -70.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.55 110.872 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.846 -179.75 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.741 0.305 . . . . 72.1 111.106 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.448 HG23 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.74 -23.22 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.03 111.091 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -43.0 -51.6 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 75.21 110.872 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 t -54.09 100.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.45 110.849 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -45.86 -29.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.11 110.905 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 88.7 m -46.77 -33.18 4.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -54.69 -85.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 73.25 110.887 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -48.11 -55.88 9.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 75.04 111.117 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 3.2 ptm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.32 110.851 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.641 0.734 . . . . 64.54 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -23.24 31.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 75.45 112.347 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.906 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.853 0.358 . . . . 74.44 110.829 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -48.01 -26.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 71.54 110.857 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -50.59 -57.47 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.96 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -52.96 -51.99 59.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 70.41 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -55.25 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 73.52 110.907 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.84 -44.51 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 74.3 111.139 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.52 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 53.25 111.074 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.0 m -57.24 -53.84 53.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 73.21 111.141 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.7 tp -55.7 -53.63 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.903 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.07 -56.58 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 t -55.97 -30.95 62.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 72.22 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.59 -61.92 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 72.3 110.863 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -56.52 -36.59 69.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 74.32 110.916 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -56.38 -24.58 45.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.842 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.914 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.84 0.352 . . . . 72.43 111.133 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.68 131.92 36.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 73.43 110.836 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.82 -34.39 61.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 61.11 112.447 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -54.11 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 71.13 110.856 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -50.15 -57.91 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.884 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.2 mt -49.81 -42.96 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.15 111.163 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -56.26 -56.47 20.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 75.45 110.886 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -49.99 -48.37 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 64.54 110.946 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.69 -51.26 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.903 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 m -57.78 -71.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 61.5 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 t -42.53 -45.78 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.45 111.155 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.23 -54.9 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.924 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.58 -57.67 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 75.31 111.081 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.14 -48.31 79.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 72.45 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -56.27 -27.15 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 71.02 110.909 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -129.5 84.1 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.3 mm -78.68 -0.71 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 75.32 111.134 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -90.62 19.72 5.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 75.32 110.897 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.409 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.7 pt -147.36 28.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 75.22 111.113 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -57.54 -36.29 71.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 65.1 110.867 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.1 t -58.51 -73.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.866 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.96 -46.52 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.833 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.4 mt -56.33 -71.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 74.21 111.153 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mm -47.53 -47.38 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 75.05 111.097 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 m -57.82 -42.82 85.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.872 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.68 -67.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 75.05 110.96 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 pt -45.12 -46.23 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 74.45 111.114 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.0 mt -57.01 -57.14 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.25 111.149 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -47.86 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.892 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -54.93 -35.34 64.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.94 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.4 t -63.6 -74.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 60.41 110.84 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -25.78 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.859 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -42.72 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.874 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.672 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -93.31 170.24 8.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.716 . . . . 63.4 110.86 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.6 Cg_endo -69.7 -158.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 75.41 112.342 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -30.86 -52.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.87 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 59' ' ' ASP . 64.2 m -32.53 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 75.41 110.831 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.672 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.9 m80 -61.58 -37.81 85.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 75.01 110.832 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -46.02 -60.28 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.878 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.89 -58.95 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.02 110.926 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.17 -60.7 5.96 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 65.42 112.483 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.7 p -48.08 -48.17 33.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 64.45 110.832 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -48.04 -53.19 17.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.955 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -55.4 -47.11 76.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.895 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.21 -50.25 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 75.5 111.182 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.2 mt -57.46 -39.0 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.155 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.91 -55.22 35.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.871 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.1 p -55.75 -57.46 11.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 52.51 110.895 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.7 mt -55.2 -43.78 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 72.03 111.109 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.08 -58.24 14.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 73.43 112.525 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mtm105 -51.61 -55.59 18.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 74.25 110.868 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.36 -58.06 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 64.45 111.072 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -51.19 -45.81 61.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.899 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 tp -52.08 -56.29 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 71.55 110.967 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -43.96 73.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 65.43 110.836 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -55.46 -73.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.59 -35.99 55.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 71.31 111.133 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -52.75 -51.3 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 71.23 110.913 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.6 m -55.38 -24.75 31.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.03 110.889 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -115.81 -166.04 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.9 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -87.65 100.07 12.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.865 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 75.55 110.915 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.103 0 CA-C-O 120.884 0.285 . . . . 74.0 112.336 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.09 -36.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 63.41 112.462 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -170.93 -174.01 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 72.04 111.146 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -42.34 -51.84 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 71.02 110.873 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -51.43 -61.48 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 71.11 111.109 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -53.66 -42.92 68.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.02 110.849 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.12 -59.12 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.142 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.4 mt -55.11 -46.28 77.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.04 111.116 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -55.3 -52.14 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 62.4 110.887 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.5 m -55.19 -53.33 57.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.161 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.5 mt -52.57 -55.99 18.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.915 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.49 -15.68 25.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 73.11 112.507 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.82 -9.36 49.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 63.41 110.909 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.4 m -124.12 -16.5 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.25 111.104 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.2 tp -50.09 -29.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 75.21 111.142 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -71.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.938 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -55.61 -39.03 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 73.44 110.94 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.77 -64.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.909 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.423 ' O ' HG13 ' A' ' 113' ' ' ILE . 0.4 OUTLIER -53.84 -69.86 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.925 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.3 p -36.55 -59.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -52.49 -50.71 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 71.44 110.885 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.37 -55.59 29.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.142 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.46 HD13 ' CD1' ' A' ' 150' ' ' PHE . 7.4 mt -54.53 -49.72 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 70.13 111.098 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.53 -67.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 74.33 111.115 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.59 -45.56 48.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 72.05 110.881 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.416 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 5.4 m -55.83 154.19 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 63.14 110.868 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -96.41 -171.39 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.898 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.624 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 4.5 tp-100 -46.91 -51.98 15.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.899 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.53 -67.42 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 116' ' ' SER . 11.9 m170 -47.81 -59.6 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.876 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.96 -38.32 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 74.5 110.859 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -60.99 -44.98 96.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.903 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -57.79 -49.2 77.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.33 110.893 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.34 -50.02 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 73.32 111.172 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -49.57 -52.16 32.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 75.51 110.869 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.94 -51.83 66.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 72.5 110.901 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 29.3 tp -52.47 -42.77 64.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.921 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.55 -48.96 76.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.902 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -53.99 -53.06 58.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 71.54 110.844 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.8 mt -55.5 -42.56 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.03 111.155 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 30.1 m0 -55.97 -54.06 49.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 72.41 110.918 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.48 -51.99 60.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -55.96 -71.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 61.24 110.867 -179.8 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.786 0.327 . . . . 63.22 111.136 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -69.32 -20.84 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.21 111.132 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -40.61 -51.71 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.879 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 t -65.2 90.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.833 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -42.04 -27.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.889 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 5.3 t -46.07 -28.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.857 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.712 ' CG ' ' N ' ' A' ' 151' ' ' ALA . 10.0 p90 -55.63 -60.87 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 70.22 110.913 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.712 ' N ' ' CG ' ' A' ' 150' ' ' PHE . . . -67.87 -51.21 50.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 72.11 111.104 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 9.8 mmt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 72.12 110.853 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 28.9 t-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.671 0.748 . . . . 73.25 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -21.55 33.4 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.706 2.271 . . . . 72.44 112.337 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.946 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.863 0.363 . . . . 73.25 110.874 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.53 -28.29 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.865 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -49.78 -56.86 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 62.35 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.17 -50.34 64.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 70.32 110.886 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -56.09 -70.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.834 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.78 -45.28 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.31 111.134 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.39 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 71.13 111.111 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.7 m -57.86 -52.86 63.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 74.25 111.145 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 11.4 tp -56.14 -55.96 26.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.972 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.67 -60.79 2.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 t -55.04 -30.31 59.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.867 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.467 ' O ' ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -54.28 -67.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.915 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -55.32 -35.07 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.871 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.0 -14.57 9.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.902 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.23 110.927 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.2 mm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.856 0.36 . . . . 74.01 111.068 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.37 107.75 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 72.33 110.872 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.02 -51.7 52.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 71.13 112.532 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.66 -52.47 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 74.53 110.833 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -53.34 -59.12 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 74.14 110.871 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.3 mt -49.13 -43.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.132 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -57.79 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 74.05 110.927 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -50.59 -48.42 57.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 75.43 110.89 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.04 -52.6 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.924 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -57.05 -70.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 74.43 111.148 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.3 t -43.21 -44.28 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.3 111.102 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -58.07 -56.42 22.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 74.44 110.888 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.09 -57.98 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 74.34 111.072 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mp -57.69 -46.9 83.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 72.15 110.959 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.46 -28.66 60.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 62.34 110.878 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -129.35 83.91 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.879 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.6 mm -77.04 -3.04 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 72.32 111.14 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -89.09 23.85 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 71.23 110.887 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.5 pt -152.8 29.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.45 111.151 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.79 -35.49 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 75.15 110.896 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -58.73 -73.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.31 110.84 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.73 -46.17 29.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.926 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.18 -70.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.52 111.156 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.5 mm -47.3 -48.16 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.21 111.117 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -57.35 -42.63 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.87 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.5 tp -57.91 -67.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.5 110.939 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.2 pt -46.5 -45.09 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.53 111.107 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.9 mt -56.14 -59.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 75.24 111.181 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -57.13 -50.4 72.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 71.4 110.899 179.827 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.444 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -51.42 -36.78 45.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.32 110.913 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.582 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 9.0 p -63.83 -73.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 71.44 110.852 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.582 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.6 ptt85 -43.56 -33.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.877 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.66 -82.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.912 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.6 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 58.3 m -50.76 141.15 18.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 72.43 110.885 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -100.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.757 2.304 . . . . 73.54 112.32 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 3.3 p-10 -68.56 -51.58 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 75.15 110.85 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 t -40.01 -48.95 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.876 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.6 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.93 -48.94 79.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.11 110.822 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 112' ' ' ALA . 7.6 mtmp? -39.01 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.31 110.909 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.8 tp -64.82 -50.16 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.88 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.61 -77.15 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.773 -0.727 . . . . 75.35 112.494 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.8 p -38.98 -52.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 71.31 110.836 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 mt -46.97 -53.01 13.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.924 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -57.17 -45.85 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.968 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.39 -55.19 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 74.01 111.108 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.5 mt -56.55 -36.64 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.131 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.0 -56.5 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.835 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -55.98 -62.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.35 110.836 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.3 mt -52.57 -45.82 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 71.34 111.155 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.91 -60.31 8.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 73.33 112.487 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.68 -54.84 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 72.5 110.891 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.48 -61.81 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 64.34 111.109 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -49.56 -43.58 46.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.34 110.902 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.62 -59.62 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.922 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -40.35 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.05 110.918 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.03 -73.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.912 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -37.93 67.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 74.32 111.183 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -55.5 -40.89 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 71.23 110.884 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -50.53 -60.19 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 65.24 110.898 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -90.02 -76.23 0.43 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.871 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.9 t -172.83 177.67 2.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.856 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 74.53 110.906 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.129 0 CA-C-O 120.833 0.264 . . . . 74.51 112.338 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.33 -46.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 34.32 112.472 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.05 -176.1 5.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.43 111.095 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 p -45.05 -44.9 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 53.02 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.29 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.088 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -51.43 -35.11 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 64.52 110.884 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.05 -58.55 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 62.32 111.094 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.5 mt -55.99 -46.06 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 73.14 111.127 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -56.28 -51.12 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 65.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.4 m -55.19 -52.05 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.145 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.8 mt -52.25 -56.26 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 53.14 110.954 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.46 -16.11 27.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 75.1 112.444 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.61 -12.85 47.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 63.01 110.901 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 m -120.94 -17.89 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.54 111.126 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.0 tp -48.88 -30.07 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.169 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -71.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 72.22 110.935 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.61 -39.59 70.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.901 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 41.7 mt -55.63 -72.27 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.915 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -51.22 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.922 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.3 p -37.27 -62.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.87 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -48.87 -49.42 39.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 71.4 110.849 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.477 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -56.07 -58.25 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.108 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 mt -52.41 -48.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 70.53 111.137 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.06 -69.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.24 111.107 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -23.97 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.903 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 3.5 m -74.54 147.6 41.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.886 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.483 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -97.38 -171.81 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.87 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.6 pp0? -45.01 -52.65 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.956 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -62.92 -63.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.88 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.483 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 43.4 m170 -49.32 -61.23 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -48.11 -34.82 10.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.891 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -56.49 20.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.875 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -52.27 -48.96 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 73.33 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 52.0 mt -55.91 -50.75 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.126 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -50.02 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.855 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 tpp -55.8 -52.29 64.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.51 110.904 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 25.9 tp -50.57 -46.11 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.917 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.453 HD11 HG22 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.3 -49.81 73.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 72.15 110.909 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -50.7 -50.63 54.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 74.01 110.851 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.6 mt -57.76 -43.99 85.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.34 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -52.18 -57.71 8.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 72.53 110.935 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.52 -47.89 75.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.53 110.851 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -55.15 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.879 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 65.34 110.878 -179.828 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.714 0.293 . . . . 73.03 111.124 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.453 HG22 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.8 -21.3 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 75.44 111.143 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -44.79 -49.33 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.9 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.5 t -58.57 96.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.86 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -46.77 -28.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.914 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 36.7 t -47.04 -33.41 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.53 110.908 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -56.67 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.874 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -45.34 -49.37 12.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 73.11 111.074 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 1.6 ptm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 74.24 110.874 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.644 0.735 . . . . 75.41 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -20.97 33.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 75.21 112.334 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.907 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.51 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.841 0.353 . . . . 73.44 110.88 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.79 -14.86 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.921 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.45 -69.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.22 110.962 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 6' ' ' ASP . 8.1 p30 -53.3 -46.56 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.897 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -53.99 -70.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 64.43 110.872 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.64 -42.74 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 71.51 111.153 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.34 -47.59 72.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 72.41 111.124 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.7 m -58.13 -53.45 58.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.158 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.9 tp -55.04 -51.59 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 64.22 110.889 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.72 -55.01 18.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 65.44 110.864 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 t -57.97 -30.35 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 64.35 110.829 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.88 -62.16 1.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 75.54 110.941 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -57.55 -37.59 73.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 75.35 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -55.46 -25.26 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.865 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.873 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.6 mm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.831 0.348 . . . . 75.14 111.106 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -171.02 117.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.816 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.7 -53.43 41.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 54.01 112.496 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 t -47.14 -55.59 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 71.31 110.811 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -54.27 -61.58 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 72.54 110.893 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.5 mt -47.96 -44.05 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.43 111.106 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -55.6 -53.03 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.866 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -52.58 -48.4 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.909 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mt -58.4 -50.66 72.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 75.53 110.921 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.7 m -57.32 -71.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 75.3 111.105 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.0 t -41.6 -45.27 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 71.12 111.152 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -58.17 -56.57 20.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.905 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.11 -57.6 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 55.33 111.126 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mp -57.36 -48.69 78.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.918 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -56.4 -24.5 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.05 110.898 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -132.09 83.96 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.84 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.401 ' O ' HG22 ' A' ' 40' ' ' ILE . 14.6 mm -78.09 -2.14 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 73.34 111.114 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -88.63 22.74 2.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.851 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.3 pt -149.84 27.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.32 111.171 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -55.9 -35.39 66.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.12 110.842 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -73.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.798 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -45.4 41.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.882 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.2 mt -54.52 -73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 73.4 111.135 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.9 mm -48.0 -46.68 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.089 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 m -56.53 -44.24 80.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.817 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.54 -66.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.914 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.9 pt -47.9 -45.16 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.113 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mt -55.57 -62.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.136 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -41.96 73.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 74.2 110.862 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.551 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 1.9 t80 -54.76 -38.94 67.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.918 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 25.1 p -66.48 -64.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.834 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.443 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -60.16 -17.23 39.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 72.25 110.885 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' ' 53' ' ' TYR . 5.2 mt -53.48 -80.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.875 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.67 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -93.45 170.08 9.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.537 0.684 . . . . 72.51 110.906 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.6 Cg_endo -69.77 -154.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 72.15 112.311 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.7 OUTLIER -27.37 -56.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 75.51 110.897 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 59' ' ' ASP . 11.0 p -33.0 -76.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.878 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.67 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 16.4 m170 -61.21 -36.12 79.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 74.5 110.909 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.9 mmtp -50.39 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 75.52 110.897 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.6 tp -53.44 -60.05 3.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 71.31 110.872 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.8 -52.71 11.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.493 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.8 p -54.57 -53.27 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 73.3 110.836 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.6 -52.25 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 73.3 110.931 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -57.04 -49.12 76.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 72.14 110.945 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.7 mt -57.41 -56.14 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 71.03 111.147 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mt -55.61 -36.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.13 111.125 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -56.21 24.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.842 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -55.86 -56.23 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.854 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 67.4 mt -54.47 -48.08 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 73.04 111.121 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.62 -55.47 24.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 71.12 112.469 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -56.49 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 75.34 110.887 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.06 -59.75 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.21 111.12 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -47.02 -48.71 21.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.926 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 tp -53.52 -61.23 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 74.12 110.926 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -39.68 68.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 61.42 110.848 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -55.63 -72.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 72.04 110.849 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.4 t -55.66 -42.73 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 71.1 111.119 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -54.31 -37.27 64.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 72.44 110.847 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.79 -30.43 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.868 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -114.42 -74.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 63.14 110.926 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -175.5 137.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.832 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 75.25 110.894 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.817 0.257 . . . . 74.22 112.344 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.23 -52.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 73.43 112.471 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.9 -173.92 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.33 . . . . 73.22 111.133 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 62.7 m -41.8 -42.29 2.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 72.31 110.918 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.98 -69.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 74.44 111.123 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.423 ' HA ' HD21 ' A' ' 99' ' ' ASN . 22.0 t-80 -53.93 -37.95 64.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 70.34 110.848 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.73 -57.41 12.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 61.52 111.077 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.15 -60.88 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 64.22 111.135 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.423 HD21 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -52.05 -46.23 65.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 72.03 110.895 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 m -54.41 -57.52 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.54 111.094 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.8 mt -51.91 -54.65 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 73.43 110.971 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.99 -16.07 31.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 73.12 112.474 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.91 -10.43 42.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 74.34 110.886 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.5 m -122.77 -14.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 72.2 111.133 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.2 tp -49.6 -29.55 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 74.33 111.131 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.407 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -51.18 -70.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.923 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -56.24 -40.58 74.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.88 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.6 -72.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 70.53 110.9 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -50.28 -67.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.91 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' LEU . 91.9 p -36.32 -57.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.879 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.58 -51.85 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 71.12 110.906 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 116' ' ' SER . . . -51.76 -57.65 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 71.44 111.099 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.1 mt -51.15 -56.93 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.43 111.102 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.95 -66.93 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 74.05 111.098 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -49.73 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.937 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 5.6 m -60.92 161.7 7.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 62.21 110.907 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -100.57 -175.72 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 73.1 110.877 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.603 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 11.0 tt0 -42.87 -52.19 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.919 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -62.33 -71.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.35 110.864 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.449 ' CB ' ' HB3' ' A' ' 116' ' ' SER . 11.4 m170 -46.17 -59.18 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.823 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.61 -38.74 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.86 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.06 -44.41 97.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 74.02 110.871 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -57.55 -48.01 80.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 74.02 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 19.9 mt -57.43 -49.47 80.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.52 111.137 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -55.2 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.871 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -48.25 75.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.878 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 46.1 tp -53.19 -46.45 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.901 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.404 HD12 ' CG1' ' A' ' 145' ' ' ILE . 1.2 tt -56.31 -49.2 74.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.902 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -52.53 -49.41 64.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.901 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 74.2 mt -57.93 -41.48 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.05 111.077 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -54.39 -57.3 11.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 74.05 110.915 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -55.54 -55.65 29.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -55.73 -71.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.887 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.856 -179.804 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.769 0.318 . . . . 73.14 111.076 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.404 ' CG1' HD12 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -69.57 -22.77 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 70.11 111.189 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.66 -53.62 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 72.31 110.901 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.5 p -62.1 98.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.865 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -47.22 -28.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 74.52 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 3.3 m -48.64 -29.54 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 75.53 110.86 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -57.33 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.9 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -41.14 -36.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.125 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 13.4 mtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.884 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.683 0.754 . . . . 55.45 110.842 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.1 26.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 75.11 112.345 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 73.15 110.954 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.511 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.872 0.368 . . . . 74.14 110.852 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.5 -14.53 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.865 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -53.04 -69.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 65.42 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 6' ' ' ASP . 7.4 p30 -52.91 -48.06 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.905 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -53.63 -69.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.872 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.15 -42.99 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 73.13 111.104 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.68 -48.51 72.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 63.45 111.106 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -58.04 -52.84 63.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.13 111.102 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.51 -52.94 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.924 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -49.84 -59.24 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 54.13 110.882 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -55.32 -31.98 62.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.87 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.13 -64.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 74.41 110.832 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -55.11 -36.19 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.886 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.45 -24.41 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.858 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.932 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 74.33 111.146 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.73 122.99 31.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.913 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.2 -42.01 54.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 62.05 112.529 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -51.29 -48.44 62.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 72.33 110.824 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -52.89 -60.33 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.919 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.28 -44.19 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.21 111.116 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -55.67 -53.31 58.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.931 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -51.73 -49.05 63.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 74.32 110.914 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -57.37 -50.9 71.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 62.44 110.923 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 m -57.75 -72.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.473 . . . . 63.41 111.178 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.5 t -41.48 -44.81 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 71.33 111.144 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -58.08 -56.74 18.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.447 . . . . 74.12 110.884 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -57.24 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 64.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mp -57.55 -46.09 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.866 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.92 -27.41 52.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 64.13 110.869 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -130.11 83.66 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 72.12 110.881 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.4 mm -77.38 -1.46 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 75.03 111.125 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -90.44 18.88 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 62.35 110.894 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 2.1 pt -147.63 31.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.22 111.14 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -35.43 72.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 75.1 110.921 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.6 t -58.74 -72.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 62.4 110.814 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.43 -46.81 26.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 71.14 110.881 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.5 mt -56.41 -69.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 75.52 111.089 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -47.69 -47.76 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.2 111.141 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -58.09 -40.73 81.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.809 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 tp -58.61 -66.28 0.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 72.04 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.8 pt -46.66 -45.31 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.02 111.153 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt -55.62 -59.33 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.34 111.121 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -49.92 74.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.859 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -36.8 35.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.919 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.508 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -63.82 -74.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 75.43 110.878 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.97 -33.0 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 70.35 110.85 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.4 mt -57.22 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.921 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.559 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -57.31 142.6 75.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 72.22 110.915 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -99.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 74.42 112.314 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' SER . 2.1 p-10 -68.33 -54.13 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 73.53 110.875 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -37.64 -50.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.855 -179.784 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.47 -52.79 64.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.845 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 7.6 mtmp? -34.89 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.87 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.9 -56.75 17.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 73.05 110.888 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.35 -75.28 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 70.3 112.505 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 64' ' ' GLY . 15.2 t -36.56 -62.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 74.2 110.862 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.19 -53.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 74.33 110.957 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -58.07 -48.58 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.904 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 89.8 mt -56.47 -56.12 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 72.15 111.166 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mp -55.87 -36.2 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 75.33 111.095 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -56.69 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.859 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 p -56.36 -61.29 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.846 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.5 mt -53.12 -42.98 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 75.24 111.176 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.63 -58.99 10.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 72.02 112.482 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -52.15 -54.04 35.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.329 . . . . 74.05 110.844 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.5 -61.28 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.11 111.088 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -50.23 -46.61 54.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.932 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 tp -52.48 -54.07 37.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 74.41 110.905 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -42.82 74.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.24 110.867 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.32 -72.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 75.05 110.888 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -37.36 61.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 73.42 111.146 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -55.48 -45.74 76.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.908 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -51.22 -67.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 75.1 110.854 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -72.55 -75.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 75.54 110.908 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 p -179.68 168.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.816 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 74.34 110.894 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.109 0 CA-C-O 120.834 0.264 . . . . 75.12 112.341 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.01 -45.3 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 73.32 112.449 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.45 -174.64 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 75.45 111.154 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 p -41.19 -48.01 3.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 75.33 110.896 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.05 -67.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.13 111.074 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -51.51 -36.23 43.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.872 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.46 -60.71 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 72.32 111.111 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 58.5 mt -53.81 -45.73 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.45 111.119 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -56.07 -53.02 62.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.835 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.8 m -54.57 -53.81 49.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.02 111.134 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 35.4 mt -50.83 -57.15 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 72.32 110.96 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.24 -15.56 23.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 73.0 112.501 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.71 -11.47 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 73.21 110.914 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.67 -16.37 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 74.35 111.122 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.0 tp -48.9 -30.35 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 71.45 111.147 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.404 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -47.43 -70.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.944 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -54.7 -40.67 69.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 73.01 110.905 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.1 mt -55.72 -75.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.958 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -53.04 -61.81 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.898 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' LEU . 46.1 t -36.32 -69.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.88 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.88 -44.46 29.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 72.2 110.884 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.45 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.45 -56.31 21.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.33 111.113 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.2 mt -55.24 -45.21 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.132 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.01 -68.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.094 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -48.62 64.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 88.8 p -51.86 142.64 14.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 64.32 110.861 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 121' ' ' LYS . 1.2 p-10 -93.76 -176.33 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.24 110.898 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.606 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 75.0 mt-30 -39.97 -54.0 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 74.41 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -70.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 72.45 110.831 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 13.7 m-70 -46.52 -59.58 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.848 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.606 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.78 -38.15 6.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 70.34 110.911 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.43 -45.35 94.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.875 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -57.64 -50.68 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 74.04 110.864 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.18 -53.1 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 63.13 111.169 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.47 -52.54 21.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.841 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -46.3 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.87 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 18.7 tp -55.29 -48.01 74.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 71.54 110.885 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.453 HD11 HD13 ' A' ' 145' ' ' ILE . 3.2 tp -55.85 -51.72 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 75.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -51.12 -48.16 61.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 72.22 110.847 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.8 mt -56.92 -43.47 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 61.32 111.154 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 49.5 m0 -55.16 -60.68 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.882 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.26 -54.75 41.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 72.44 110.88 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -51.08 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.906 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 64.23 110.857 -179.802 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.735 0.302 . . . . 62.21 111.072 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.453 HD13 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.64 -24.34 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.02 111.13 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -43.43 -50.78 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.896 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.46 92.97 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.873 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 152' ' ' MET . 25.2 mmtm -43.98 -33.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.918 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 34.7 m -40.54 -38.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 70.21 110.873 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.501 ' O ' ' C ' ' A' ' 151' ' ' ALA . 16.9 m-85 -58.25 -81.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.9 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 150' ' ' PHE . . . -29.12 -60.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 73.45 111.165 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 148' ' ' LYS . 1.3 ptm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.25 110.873 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 51.3 t-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.659 0.742 . . . . 72.41 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.66 24.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 74.35 112.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 74.33 110.921 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.842 0.353 . . . . 74.33 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -48.12 -26.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.88 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.61 -56.94 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.907 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.01 -52.38 58.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 71.1 110.882 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -55.38 -70.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.883 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.6 -44.05 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 73.24 111.131 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.22 -51.02 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 64.11 111.114 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.7 m -57.09 -52.55 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 74.22 111.15 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 tp -56.0 -52.62 63.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 75.45 110.94 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -49.92 -55.78 13.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.954 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -57.08 -30.87 64.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 74.51 110.832 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -62.29 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.844 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -57.5 -37.71 73.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.937 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.54 -24.78 34.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 64.13 110.86 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.926 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.852 0.358 . . . . 73.33 111.161 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.99 119.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 53.2 110.832 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.36 -50.0 61.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 75.41 112.466 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -47.02 -57.03 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 73.44 110.865 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -51.63 -59.28 4.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 75.24 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.9 mt -48.86 -43.38 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -56.5 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.88 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -50.86 -49.26 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.883 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.52 -52.7 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.945 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -57.46 -71.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 75.52 111.143 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -41.44 -44.54 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 75.22 111.124 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -59.46 -55.75 30.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 74.13 110.911 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.03 -57.41 5.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 52.03 111.109 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mp -57.15 -48.88 77.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.888 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.82 -23.62 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 64.21 110.911 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -133.11 84.5 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.2 110.829 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.1 mm -78.04 -2.34 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.33 111.136 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -88.78 24.36 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.845 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.3 pt -151.5 27.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 71.34 111.14 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -56.59 -36.22 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.894 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.9 t -59.16 -74.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 74.15 110.857 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.33 -46.31 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 74.33 110.887 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.1 mt -55.86 -73.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.3 111.103 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.9 mm -47.2 -48.02 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.14 111.107 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -56.79 -44.19 81.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 70.22 110.858 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.7 tp -57.47 -68.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 74.03 110.909 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.4 pt -45.5 -46.39 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 75.31 111.095 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.5 mt -55.45 -59.14 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 73.1 111.115 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.59 -48.24 75.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.885 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 2.6 t80 -51.37 -39.28 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.92 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.4 t -64.89 -70.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 74.43 110.839 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -20.94 25.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 72.42 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' TYR . 5.2 mt -51.96 -79.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.668 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -87.87 169.83 13.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 72.43 110.866 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.2 Cg_endo -69.81 -158.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 75.51 112.326 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -30.67 -52.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 65.34 110.881 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 59' ' ' ASP . 13.2 p -32.32 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.849 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.668 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.8 m80 -61.77 -40.51 95.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.859 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.6 mmtt -42.17 -62.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.937 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 tp -59.21 -55.76 30.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 72.02 110.889 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.26 -64.46 3.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 62.11 112.554 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -44.53 36.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 71.34 110.874 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.1 -55.37 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 73.44 110.915 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -55.75 -45.95 77.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.906 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.97 -51.19 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 74.4 111.117 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.0 mt -57.53 -37.78 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.146 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.39 -55.36 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 62.34 110.858 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.7 p -56.65 -57.97 10.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.881 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.6 mt -54.58 -44.18 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 74.25 111.14 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.57 -62.32 6.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 63.21 112.466 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -53.47 19.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 71.55 110.89 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.19 -59.77 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 65.43 111.113 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -49.71 -46.74 50.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 72.31 110.882 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -63.87 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 74.44 110.954 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -38.79 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 71.01 110.883 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.27 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.52 110.919 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.7 t -52.37 -45.63 65.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 73.41 111.129 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -50.99 -39.47 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.84 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -52.37 -29.88 26.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 61.03 110.836 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -113.73 -76.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 74.34 110.9 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 m -164.87 122.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.919 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 73.55 110.903 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.793 0.247 . . . . 75.32 112.376 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.88 -38.84 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 54.21 112.457 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.28 -175.36 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 72.44 111.117 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 82.0 m -47.62 -36.26 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.884 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.92 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 73.31 111.113 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -53.52 -34.79 59.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.877 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.66 -56.42 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.23 111.111 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.33 -55.88 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.11 111.152 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -43.53 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.1 110.888 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.2 m -56.38 -55.14 37.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 73.24 111.127 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 mt -54.74 -53.33 56.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.899 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.11 -15.94 31.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 61.54 112.484 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.48 -8.82 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 72.51 110.906 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.9 m -124.45 -14.81 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 73.54 111.107 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.82 -30.56 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 70.14 111.098 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.55 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.926 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.05 -37.02 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.886 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -55.89 -74.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.925 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -51.5 -64.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.912 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 89.9 p -36.37 -63.75 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 74.2 110.834 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -50.48 -48.65 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.855 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.59 -56.59 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 64.03 111.095 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 109' ' ' LEU . 4.1 mt -54.33 -52.41 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 74.53 111.131 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.79 -68.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 63.35 111.09 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.7 -50.09 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.907 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.403 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 4.2 m -54.17 158.36 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 72.52 110.895 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -97.72 -175.02 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 51.45 110.908 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.603 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.0 tt0 -44.31 -51.62 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.911 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -62.69 -69.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 64.13 110.872 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.46 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 15.7 m170 -47.3 -59.18 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.822 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.88 -38.84 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.926 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.3 -44.37 97.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 71.25 110.841 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -57.07 -48.81 77.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.931 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 69.3 mt -57.43 -50.16 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 72.21 111.091 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -52.66 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.857 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -46.55 81.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 73.01 110.884 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 15.8 tp -50.29 -51.97 40.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.949 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.465 HD11 HG21 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.77 -48.26 78.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 71.31 110.954 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.08 -51.89 39.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.858 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.53 -41.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 71.15 111.098 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 38.7 m0 -50.69 -61.05 2.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 72.15 110.943 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -55.93 -52.46 64.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 62.13 110.833 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -53.29 -70.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.876 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 65.5 110.832 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.78 0.324 . . . . 72.31 111.062 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.465 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -71.15 -25.08 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 73.52 111.152 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 145' ' ' ILE . 9.1 ttt180 -36.53 -45.15 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 64.45 110.84 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.9 t -84.83 108.1 17.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 71.11 110.882 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -50.01 -16.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 73.1 110.909 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' CYS . . . . . 0.402 ' HA ' ' CG ' ' A' ' 152' ' ' MET . 26.5 p -41.5 -37.31 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.902 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.658 ' CD1' ' N ' ' A' ' 151' ' ' ALA . 10.9 p90 -60.01 -53.47 57.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.853 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.658 ' N ' ' CD1' ' A' ' 150' ' ' PHE . . . -58.52 -60.9 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.11 111.094 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.402 ' CG ' ' HA ' ' A' ' 149' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.842 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 4.8 p30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.629 0.728 . . . . 62.31 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -13.43 34.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 64.41 112.369 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.918 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.767 0.318 . . . . 71.43 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -91.81 73.47 5.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 70.32 110.896 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 57.08 37.12 28.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.91 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -122.94 130.25 52.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 75.01 110.869 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 t0 65.12 38.69 5.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -164.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.925 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -49.85 -26.05 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 74.24 110.851 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -49.85 -58.01 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.905 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.31 -50.5 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 71.34 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -55.3 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 71.22 110.886 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -48.55 -44.47 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 70.44 111.136 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.05 -49.8 65.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.14 111.067 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.5 m -56.97 -53.58 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 73.43 111.176 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -55.96 -52.36 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.957 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.68 -56.05 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.925 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -56.35 -31.67 63.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 72.31 110.86 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -62.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.848 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -56.68 -35.94 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 74.14 110.893 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.21 -22.05 26.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 63.53 110.888 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.55 170.78 11.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.925 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.56 62.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.876 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t 68.96 35.76 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.889 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -89.1 -53.81 2.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.707 -0.758 . . . . 75.32 112.491 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mt 58.94 80.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 73.23 111.123 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -86.04 131.52 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.51 -34.82 64.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 74.32 112.448 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -48.67 -54.53 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 64.43 110.858 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -50.99 -54.92 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 74.24 110.893 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.7 mt -50.49 -45.43 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.084 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -55.67 -54.95 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.31 110.918 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -49.55 -50.06 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.857 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.49 -48.55 78.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 62.4 110.952 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -58.03 -70.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 73.23 111.101 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -42.73 -45.11 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.33 111.13 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -58.65 -55.05 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 63.3 110.961 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.08 -57.37 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 75.3 111.111 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.58 -46.43 84.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 72.53 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -56.05 -26.23 48.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 65.44 110.892 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -132.59 85.39 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.865 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.0 mm -77.69 -1.29 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.42 111.128 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.14 22.46 3.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.841 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.424 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.4 pt -150.81 29.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 70.42 111.135 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -33.44 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.924 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -59.48 -73.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 72.11 110.825 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.96 -47.23 21.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.87 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.7 mt -56.3 -72.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 73.12 111.192 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.9 mm -46.83 -46.37 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 64.3 111.149 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.7 m -58.1 -44.43 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 45.54 110.853 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.8 tp -56.7 -66.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.22 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 pt -47.33 -46.07 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 75.2 111.094 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.2 mt -55.33 -57.6 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 74.13 111.12 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -47.08 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 72.24 110.889 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 4.5 t80 -51.18 -40.3 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.923 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 t -65.92 -69.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 70.34 110.869 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -22.69 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 75.24 110.902 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 53' ' ' TYR . 5.6 mt -51.29 -78.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 64.23 110.917 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.64 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -89.43 169.26 13.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 62.2 110.916 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.9 Cg_endo -69.75 -158.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.246 . . . . 72.55 112.334 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' A' ' 58' ' ' PRO . 50.9 t0 -31.12 -50.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 75.53 110.917 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' ASP . 24.9 t -35.09 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.87 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.64 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 7.9 m170 -59.83 -39.37 84.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 63.13 110.833 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -43.58 -62.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.45 110.903 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.4 tp -57.47 -54.99 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.42 -64.57 3.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 71.32 112.513 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.79 -45.08 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 72.14 110.859 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -48.53 -53.98 16.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 72.42 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -56.1 -46.3 79.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.887 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.0 mt -56.76 -54.07 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 72.13 111.154 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mt -57.12 -37.11 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 73.35 111.113 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.75 -56.18 23.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 64.43 110.849 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.85 -55.4 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 61.22 110.87 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.5 mt -55.25 -46.95 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 75.41 111.15 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.29 -56.13 23.09 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 74.32 112.495 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -50.9 -57.43 8.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 53.33 110.874 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.62 -56.62 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 73.23 111.122 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -49.81 -52.2 34.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.93 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tp -50.25 -55.8 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 74.32 110.903 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.96 -43.54 73.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.868 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -55.85 -69.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.895 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 t -55.09 -41.38 71.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 65.42 111.12 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -54.75 -40.56 69.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.2 m -51.62 -29.72 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 60.52 110.837 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -107.43 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 74.54 110.885 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 p -176.86 114.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 65.02 110.839 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -81.77 102.89 11.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 71.22 110.864 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 p -140.75 142.66 34.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.889 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 p -168.9 173.28 7.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 73.54 110.891 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -139.01 -63.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -154.08 157.08 38.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.897 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt 64.34 153.85 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 75.24 110.927 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 174.73 9.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 63.41 112.35 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.51 -40.45 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.799 -0.715 . . . . 54.41 112.528 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -166.34 -173.72 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 75.15 111.139 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.3 m -42.29 -53.65 4.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.854 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.96 -64.21 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 74.42 111.127 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -53.06 -37.5 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.907 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.57 -61.87 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 70.52 111.063 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.1 mt -53.12 -45.7 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 71.11 111.096 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -56.21 -50.93 69.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 71.52 110.909 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.4 m -55.15 -51.66 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 74.42 111.166 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.9 mt -54.15 -52.35 61.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.903 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.82 -15.76 28.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 72.13 112.452 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.93 -7.37 49.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 75.52 110.863 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.6 m -125.87 -14.37 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.116 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.3 tp -49.25 -30.09 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.03 111.143 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.414 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -51.79 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.912 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -55.27 -40.09 70.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.0 -69.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 71.41 110.91 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -51.87 -69.48 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.948 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 109' ' ' LEU . 77.9 p -34.85 -60.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.5 110.86 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -52.66 -53.11 51.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.863 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.69 -57.21 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 61.25 111.062 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.468 HD13 ' CD1' ' A' ' 150' ' ' PHE . 3.7 mt -55.67 -49.73 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 71.22 111.132 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.87 -66.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.31 111.118 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -25.87 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.92 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.8 m -79.17 157.19 27.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 44.5 110.853 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.41 -176.02 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.941 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 66.8 tt0 -38.05 -52.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.863 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.74 -74.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.862 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -45.76 -58.39 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.788 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.06 -38.38 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.936 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -62.01 -45.16 94.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 71.12 110.915 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -57.59 -49.18 77.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 61.4 mt -57.43 -49.9 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 73.42 111.128 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -50.59 -52.28 40.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.897 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.8 ttm -56.59 -51.53 68.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 55.2 110.892 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 18.5 tp -51.68 -46.28 63.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 74.01 110.952 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.433 HD13 ' CG1' ' A' ' 145' ' ' ILE . 0.8 OUTLIER -56.19 -47.9 77.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 72.15 110.937 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.45 -51.82 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.14 110.859 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.4 mt -56.78 -41.68 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.33 111.113 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 21.2 m0 -54.48 -58.71 6.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 74.02 110.933 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -54.87 -48.92 72.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 63.23 110.867 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -55.27 -56.51 19.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 73.1 110.877 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.1 t -53.07 -61.23 2.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.832 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 125.18 35.45 0.62 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 74.12 112.473 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.6 mp -71.56 -77.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 73.41 110.888 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -94.53 82.95 4.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.884 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -74.41 68.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.887 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -117.14 12.43 14.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.902 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.4 m 59.66 49.67 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 61.52 110.873 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 56.46 92.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.41 110.919 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.576 ' CD1' ' H ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -58.74 155.73 12.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 70.01 110.941 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.476 ' O ' ' O ' ' A' ' 144' ' ' ALA . 80.4 m-20 -42.39 -39.96 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 74.21 110.881 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -33.85 -95.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 65.44 111.125 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.433 ' CG1' HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -70.53 -20.37 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 74.11 111.168 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.449 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 10.0 ttt180 -38.09 -54.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.34 110.853 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 96.2 p -71.46 99.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 55.25 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -43.8 -26.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 73.41 110.878 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 5.5 m -46.98 -27.48 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 74.5 110.882 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.709 ' CG ' ' N ' ' A' ' 151' ' ' ALA . 10.6 p90 -55.24 -60.18 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.932 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.709 ' N ' ' CG ' ' A' ' 150' ' ' PHE . . . -66.73 -44.4 81.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 64.12 111.124 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 9.5 mmt -53.99 -44.47 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.912 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.73 -61.35 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 63.43 110.807 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 150' ' ' PHE . 1.0 OUTLIER -62.0 -24.9 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.921 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 151' ' ' ALA . 0.2 OUTLIER -54.56 97.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 54.52 110.925 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.26 -174.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 72.52 110.844 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -63.27 99.37 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 71.31 110.862 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -172.8 147.59 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.851 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -78.55 161.07 27.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.25 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -171.26 -177.06 2.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.847 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.887 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 74.52 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 26.6 t0 -80.95 95.27 6.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.1 110.863 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 4.6 t0 -159.04 33.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 72.43 110.875 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 53.79 41.1 32.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 71.12 110.903 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -63.62 177.89 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 75.13 110.853 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 61.99 82.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 75.33 112.518 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 14.3 t80 -94.33 112.77 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.844 0.354 . . . . 72.2 110.901 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -94.46 136.89 22.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 72.44 110.908 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -25.56 28.61 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.692 2.262 . . . . 73.52 112.371 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -14.19 60.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.975 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 11.9 p -130.0 118.79 22.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 74.53 111.165 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 8.2 tt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 74.14 110.929 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.4 mmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.703 0.287 . . . . 73.41 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -147.87 171.09 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.945 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -74.23 -22.14 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 54.22 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -55.4 -26.33 40.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.831 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -133.29 70.94 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 60.12 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -105.01 -164.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 63.42 110.877 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -44.23 -35.53 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.863 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -55.02 -54.84 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -52.94 -50.98 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.917 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.57 -70.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 75.51 110.852 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -48.01 -44.1 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 72.54 111.117 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.2 -50.79 63.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.43 111.049 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.1 m -56.98 -52.54 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.11 111.161 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 14.3 tp -55.6 -54.67 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.933 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -50.15 -56.74 9.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 63.42 110.857 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 t -56.75 -29.95 63.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 74.1 110.86 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.76 -63.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 75.3 110.842 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -56.93 -37.27 71.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.906 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -55.78 -28.34 55.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.861 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.8 mt -54.64 175.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.905 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -24.81 21.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 75.31 110.921 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 p -111.52 -52.24 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.901 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.08 23.74 4.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 53.12 112.497 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.2 mm -138.43 141.62 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.347 . . . . 73.24 111.139 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.3 122.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 63.32 110.861 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.38 -62.09 6.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 43.52 112.465 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m -49.38 -47.77 47.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 71.44 110.864 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -54.49 -68.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 71.45 110.914 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -47.95 -43.15 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.112 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -55.65 -54.13 47.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.926 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -51.51 -48.13 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.53 110.901 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.6 mt -57.75 -51.62 68.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.921 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.1 m -57.6 -71.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.4 111.126 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.6 t -42.18 -45.34 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 72.1 111.101 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -58.33 -53.79 54.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 73.24 110.928 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.13 -57.8 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 73.24 111.078 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mp -57.33 -46.87 82.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.866 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -55.9 -25.56 43.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 74.14 110.863 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -131.0 83.7 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.848 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 mm -78.88 -1.66 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.119 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -90.29 15.34 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.881 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.0 pt -143.25 29.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 73.51 111.151 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -57.95 -36.94 73.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.878 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 t -58.4 -72.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 72.02 110.874 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.84 -47.31 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 74.4 110.897 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.4 mt -55.8 -70.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 74.14 111.129 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.8 mm -47.46 -47.06 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.148 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -58.16 -41.91 84.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.896 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.0 tp -57.85 -66.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 74.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.4 pt -47.59 -45.94 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 72.41 111.117 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -55.91 -60.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 73.24 111.133 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -56.39 -51.08 69.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.857 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.449 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -51.01 -36.01 37.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.919 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.601 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 4.3 p -63.69 -72.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.878 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.601 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.0 ptt85 -44.38 -32.85 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 73.24 110.85 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.8 -81.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.899 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 55.6 m -51.83 141.29 27.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.615 0.721 . . . . 71.33 110.853 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -99.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 75.4 112.363 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -68.34 -53.63 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.933 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.8 m -38.3 -49.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.87 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.597 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.7 -51.65 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.14 110.87 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.515 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 6.4 mtmp? -37.83 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.876 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -62.85 -55.17 28.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 75.22 110.924 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -49.65 -76.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 70.34 112.526 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' GLY . 19.2 t -36.6 -59.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.969 0.414 . . . . 72.23 110.858 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.59 -54.5 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.41 110.948 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -57.4 -48.77 78.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 73.15 110.941 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.3 mt -55.87 -55.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 74.21 111.169 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.8 mt -55.37 -37.31 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 74.24 111.117 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -58.41 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.88 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -53.84 -62.09 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 70.35 110.843 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.5 mt -52.06 -47.4 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 74.23 111.126 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.84 -55.23 28.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 54.33 112.538 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -56.81 11.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 73.34 110.918 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.08 -59.64 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.41 111.098 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -48.6 -46.49 39.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.94 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.5 tp -53.68 -56.4 17.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.915 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.2 -41.14 71.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 50.34 110.834 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.16 -72.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 62.12 110.864 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.18 -35.95 65.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.176 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -55.21 -44.65 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 74.45 110.861 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.62 -64.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 71.4 110.902 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -75.07 -75.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 74.24 110.862 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.18 146.33 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.901 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -107.72 35.3 3.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.904 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.57 89.65 6.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.862 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -134.19 177.35 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.82 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.4 t -125.55 -169.45 2.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 72.25 110.862 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.23 170.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 72.15 110.896 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 63.09 160.59 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 73.32 110.893 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 177.42 5.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.714 2.276 . . . . 71.01 112.364 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.46 -41.41 0.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 71.32 112.469 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -171.52 -174.02 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 62.01 111.158 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 p -40.65 -50.81 3.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.87 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.36 -61.94 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.23 111.054 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -53.82 -39.9 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.886 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.71 -60.15 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 64.43 111.125 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 50.7 mt -54.74 -45.24 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 63.53 111.126 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -55.42 -54.41 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.871 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.2 m -54.73 -49.83 69.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 75.53 111.124 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.2 mt -55.22 -56.94 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.898 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.91 -15.35 27.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 72.35 112.497 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.51 -8.6 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 72.44 110.899 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.94 -19.99 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 74.21 111.129 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.0 tp -46.63 -30.81 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 71.14 111.137 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -74.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.3 110.95 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -51.51 -39.94 58.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 51.3 mt -56.14 -71.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 74.44 110.918 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -52.14 -64.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.944 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 5.0 m -35.88 -64.9 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.843 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -49.4 -48.62 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 73.02 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.437 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.83 -57.2 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 62.44 111.115 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.7 mt -55.72 -45.14 79.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 75.14 111.1 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.1 -66.49 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 74.04 111.133 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -55.57 -56.3 21.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.32 110.91 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.458 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 77.3 p -39.06 143.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.868 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.448 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -92.4 -174.33 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.838 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.571 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.2 pp0? -43.33 -52.11 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.54 -68.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 12.1 m170 -47.94 -59.71 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.847 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -46.15 -37.53 7.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 75.25 110.904 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -60.89 -46.3 91.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.931 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -57.83 -49.12 77.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 74.41 110.933 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 57.8 mt -56.6 -49.85 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.114 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -50.93 -51.35 53.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.853 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.48 -50.89 68.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.85 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 38.3 tp -53.41 -43.67 68.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 75.42 110.925 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.442 HD12 HG13 ' A' ' 145' ' ' ILE . 0.5 OUTLIER -56.59 -48.82 76.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.903 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.49 -50.74 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.853 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 76.1 mt -57.38 -41.01 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 74.25 111.145 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -54.98 -59.22 5.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 75.4 110.96 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -55.33 -51.74 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 63.4 110.865 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -55.53 -69.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.867 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.5 t -55.11 -73.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.838 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 141.82 109.49 0.75 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 71.12 112.501 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 56.0 tp -123.2 -73.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 73.31 110.87 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -102.8 -53.89 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.898 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -154.15 167.55 29.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.864 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.91 75.61 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.864 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.54 49.8 20.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.862 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -117.95 4.65 12.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 75.24 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.1 mt -65.57 88.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 75.22 110.909 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -39.1 -39.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.24 110.889 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -41.82 -91.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 73.32 111.1 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.442 HG13 HD12 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -64.03 -27.08 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 73.02 111.162 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -39.48 -52.36 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.859 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 94.5 p -58.42 98.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 71.43 110.862 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -47.21 -28.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.04 110.926 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 48.5 t -47.76 -30.35 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.824 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -55.57 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 72.24 110.876 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.455 ' HA ' HD13 ' A' ' 154' ' ' LEU . . . -46.79 -45.98 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 64.32 111.165 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.406 ' CG ' ' N ' ' A' ' 153' ' ' ASP . 1.1 ptm -54.14 -46.72 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.903 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 152' ' ' MET . 22.3 t70 -66.49 -67.95 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 51.44 110.854 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -49.76 -31.38 11.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.911 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.63 101.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.853 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -70.45 -171.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.4 110.848 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -54.74 105.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 71.51 110.848 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -171.1 -179.21 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 73.13 110.877 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -142.64 163.42 32.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 75.42 110.872 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -173.22 167.26 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.816 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.832 0.349 . . . . 63.22 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -161.31 26.45 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -131.86 -50.84 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 71.3 110.824 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -175.23 -66.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.905 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 53.79 66.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 73.12 110.858 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 178.69 40.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 60.15 112.457 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.64 131.08 40.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 75.31 110.981 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -108.21 137.04 19.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.707 . . . . 71.41 110.881 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.52 36.91 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.711 2.274 . . . . 64.21 112.373 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.88 -19.76 58.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.908 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 10.6 p -142.15 120.18 12.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 62.31 111.125 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.864 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mtt . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.76 0.314 . . . . 72.34 110.831 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -145.49 -179.79 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.922 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -121.64 58.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 65.03 110.895 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -105.45 -26.41 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 72.53 110.831 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -140.13 60.81 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.851 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.77 -163.24 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 62.02 110.85 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -49.96 -25.11 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.854 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -48.72 -58.05 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 73.23 110.88 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.1 -51.66 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.02 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -55.94 -70.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 72.34 110.911 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.77 -45.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.34 111.104 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.24 -50.08 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.43 111.05 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.4 m -57.07 -53.41 58.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.127 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 tp -56.32 -53.83 52.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.933 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.0 -59.71 3.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 72.43 110.848 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -56.07 -30.44 61.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.861 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -56.84 -63.73 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.916 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -56.77 -37.29 70.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 72.12 110.935 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -55.69 -29.03 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.889 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -51.53 161.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 75.02 110.915 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -24.87 66.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 75.22 110.888 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 t -120.48 -50.71 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.825 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.59 31.6 3.17 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.69 -0.767 . . . . 52.51 112.469 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mp -138.78 138.08 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 74.22 111.109 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 120.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 75.32 110.884 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.44 -47.43 76.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 74.24 112.53 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 t -45.4 -59.62 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 72.13 110.845 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -58.83 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.853 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.9 mt -49.12 -45.55 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 73.42 111.14 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -53.03 -57.14 11.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.873 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -47.5 61.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.895 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.7 mt -58.61 -52.4 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 72.23 110.921 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -56.51 -69.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.168 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -44.85 -44.92 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 64.33 111.156 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -58.1 -58.95 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.9 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.77 -57.35 4.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 54.32 111.094 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -57.07 -48.42 78.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 65.24 110.963 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -55.94 -25.31 42.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 64.55 110.858 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -129.9 83.36 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.804 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mm -77.89 -1.27 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 74.24 111.172 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -90.3 18.11 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 73.2 110.863 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.6 pt -147.57 30.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 72.35 111.094 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -57.75 -36.76 72.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.841 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 t -57.64 -74.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 64.41 110.841 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -46.36 19.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.872 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.6 mt -56.72 -70.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.12 111.118 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.3 mm -46.72 -49.17 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 73.11 111.148 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -42.24 82.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.1 110.813 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.3 -66.7 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.913 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.5 pt -46.85 -45.84 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.141 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -56.43 -57.9 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.101 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -57.02 -49.62 75.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 64.22 110.826 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -51.36 -37.08 46.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.929 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.578 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 9.3 p -63.04 -72.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 71.54 110.863 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.578 ' N ' ' OG ' ' A' ' 54' ' ' SER . 7.7 ptt85 -45.11 -32.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 72.43 110.916 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.75 -84.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.918 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -50.65 141.15 17.92 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.589 0.709 . . . . 72.34 110.9 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -100.36 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 73.43 112.349 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -68.95 -53.27 21.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 65.33 110.856 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -38.44 -50.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 70.21 110.868 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -57.05 -52.19 66.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 71.3 110.864 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.53 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 6.9 mtmp? -36.78 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 64.4 110.915 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -58.13 9.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.918 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.96 -76.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 74.23 112.493 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' GLY . 21.3 t -35.79 -58.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 74.34 110.827 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.38 -55.12 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 75.1 110.918 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -56.45 -45.99 80.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.2 110.958 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.94 -56.0 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 71.51 111.137 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.9 mt -55.91 -36.85 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.44 111.156 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -57.18 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 73.24 110.835 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -64.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 61.34 110.847 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 83.3 mt -55.33 -33.98 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 65.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.26 -69.43 1.28 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.72 . . . . 74.51 112.465 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 ptt85 -55.19 -38.46 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 72.33 110.858 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.02 -61.0 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 74.35 111.096 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -53.81 -46.86 71.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 71.5 110.936 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 tp -52.38 -53.82 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 75.13 110.906 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -43.72 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.898 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.23 -71.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -40.06 63.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 64.34 111.125 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -55.46 -37.64 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.878 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -50.11 -32.92 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.873 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -119.67 -76.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 70.02 110.843 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -166.62 164.64 16.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.839 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -98.22 -169.85 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 74.41 110.871 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.7 t -136.69 -169.46 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 63.11 110.877 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.4 t -63.6 -169.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.45 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.9 p -145.64 94.4 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 73.31 110.815 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -170.26 -62.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 62.34 110.912 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 159.3 40.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.586 0.708 . . . . 74.23 110.886 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 163.57 37.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 73.35 112.323 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.8 -37.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 73.2 112.49 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.77 -174.54 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 72.22 111.169 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -42.33 -50.68 5.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 73.34 110.834 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.81 -64.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.12 111.086 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -51.43 -41.54 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 75.15 110.827 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.62 -57.28 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 70.52 111.128 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.2 mt -52.21 -49.89 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 72.24 111.088 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -55.27 -54.98 36.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.893 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.6 m -50.04 -57.13 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.124 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 62.7 mt -49.69 -59.56 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.912 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.55 -14.43 21.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.675 -0.774 . . . . 55.3 112.493 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.09 -11.22 47.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 73.43 110.893 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.9 m -123.11 -20.61 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 74.13 111.107 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.5 tp -47.72 -30.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.24 111.136 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -69.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.25 110.895 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.44 -39.83 73.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 77.4 mt -55.09 -67.33 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.957 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.5 OUTLIER -53.4 -63.82 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.862 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' LEU . 66.2 p -37.52 -67.25 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.905 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -48.2 -46.1 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.869 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.436 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -56.38 -59.05 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 75.54 111.064 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.4 mt -52.76 -50.07 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 73.33 111.112 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.18 -69.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.125 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -30.31 16.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.913 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 3.3 m -69.72 150.51 46.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.844 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.485 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -98.51 -172.86 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.889 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.614 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.6 mt-30 -44.52 -51.78 8.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 72.35 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -63.06 -66.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.485 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 43.2 m170 -48.59 -59.92 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.904 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.2 OUTLIER -45.91 -38.4 7.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.888 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -45.7 93.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 75.31 110.885 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -58.14 -50.08 74.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 52.6 mt -57.6 -48.9 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.01 111.129 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -52.0 -51.08 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 73.54 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.1 ttm -55.63 -54.24 46.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.866 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.36 -45.55 55.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.54 110.921 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -57.15 -49.12 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.889 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -51.7 -50.7 59.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 74.2 110.891 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.18 -39.53 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 65.33 111.135 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.446 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 38.4 m0 -52.36 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 74.3 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -55.75 -49.16 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.855 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -55.36 -71.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.858 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.0 t -56.6 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.843 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 167.17 139.36 2.65 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 54.1 112.472 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -175.74 -168.57 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 74.45 110.926 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -51.19 -31.07 18.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.905 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -69.78 85.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.21 110.923 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -60.35 -19.48 55.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.34 110.893 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 64.9 m -162.56 -42.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.873 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -173.8 111.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 74.44 110.937 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.84 107.19 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.951 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 5.4 t-20 -40.94 -39.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.886 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -40.31 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.122 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 146' ' ' ARG . 0.0 OUTLIER -65.09 -27.99 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.1 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.417 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 0.8 OUTLIER -36.44 -53.48 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.852 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.5 t -50.95 102.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -47.86 -29.74 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 65.54 110.915 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.25 -30.97 19.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 65.45 110.911 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -55.92 -87.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.826 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.446 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -48.44 -43.34 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 73.1 111.131 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.425 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 12.3 mtp -53.76 -50.91 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 55.54 110.894 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -63.68 -67.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.879 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 151' ' ' ALA . 1.0 OUTLIER -49.55 -32.41 12.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.911 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -48.46 101.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.4 110.865 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -63.85 -32.37 73.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.838 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -51.93 140.96 18.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.33 110.849 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -80.44 154.7 27.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 72.23 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -110.14 174.1 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 74.45 110.883 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -52.42 169.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.3 110.823 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.853 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.739 0.304 . . . . 75.4 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -101.02 28.61 5.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 75.03 110.818 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.19 30.22 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 72.14 110.85 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.22 -75.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 65.43 110.832 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 54.52 76.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 106.27 93.59 2.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.723 . . . . 64.33 112.507 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -119.57 147.96 43.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.379 . . . . 74.02 110.952 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.27 137.1 45.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 64.43 110.933 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -23.57 30.71 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.678 2.252 . . . . 71.13 112.321 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.57 -19.59 26.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.884 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 1.4 t -41.83 -47.82 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 75.14 111.17 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 42.5 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.983 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.9 mtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.733 0.301 . . . . 75.21 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -135.3 126.72 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.904 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -102.39 40.64 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 72.42 110.937 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.34 -25.25 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.49 -22.09 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 64.21 110.863 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.67 -97.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.02 110.874 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -55.97 -31.83 63.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 73.1 110.864 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -57.12 -56.86 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 71.34 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.76 -51.76 62.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 64.11 110.836 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -55.07 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.873 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.33 -44.02 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 75.02 111.106 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.23 -49.86 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 71.04 111.11 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.1 m -56.84 -52.87 63.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 75.0 111.153 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.8 tp -55.9 -54.47 44.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.955 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -50.08 -58.47 5.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.882 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -56.91 -28.93 62.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 64.32 110.868 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -62.92 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.923 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -57.59 -36.21 71.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.898 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -54.76 -24.55 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 65.1 110.842 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.9 mt -54.64 177.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.942 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -16.88 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 74.15 110.882 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -125.73 -54.66 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 74.43 110.833 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.1 35.46 2.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 62.12 112.483 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.3 mp -148.21 112.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 73.33 111.091 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.56 121.66 5.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.904 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.95 -42.05 85.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 62.14 112.451 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -48.57 -57.72 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 75.25 110.885 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -53.78 -58.66 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.11 110.877 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.3 mt -49.53 -43.94 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.51 111.185 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -55.14 -54.31 44.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 72.42 110.888 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.39 -50.26 65.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 75.32 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.79 -51.21 70.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 74.14 110.929 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 m -57.4 -72.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.43 111.142 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.4 t -42.49 -43.74 3.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 75.43 111.133 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -57.36 -57.53 12.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.905 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.72 -51.1 41.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 72.52 111.085 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.75 -50.08 73.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.934 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -57.21 -27.1 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.849 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -130.09 85.29 2.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.851 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.0 mm -80.47 -1.69 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.31 111.121 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -90.25 23.43 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 70.51 110.82 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 pt -148.11 30.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.21 111.144 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -57.64 -37.17 72.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 64.41 110.891 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 t -57.82 -74.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 74.52 110.856 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.05 -47.41 22.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 72.42 110.886 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.8 mt -55.94 -70.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 74.32 111.159 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.0 mm -48.02 -47.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.43 111.071 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.4 m -57.27 -44.54 84.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 72.43 110.839 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 tp -56.99 -67.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.852 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.8 pt -46.61 -46.46 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.53 111.115 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 54.1 mt -56.95 -56.47 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 63.02 111.09 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -51.02 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 73.34 110.86 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 1.7 t80 -51.83 -38.05 54.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.907 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.1 t -63.33 -75.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 75.35 110.814 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -30.38 27.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 73.34 110.85 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 mt -42.48 -77.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.932 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.66 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -89.2 169.28 13.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 73.34 110.916 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.78 -158.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.654 2.236 . . . . 71.04 112.35 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -31.96 -50.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 72.24 110.913 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 59' ' ' ASP . 61.7 m -33.28 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.856 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.66 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 12.2 m170 -60.98 -38.61 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 72.22 110.863 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -45.29 -62.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.92 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.99 -59.18 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.92 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.72 -64.17 3.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 72.12 112.468 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -45.99 32.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.934 0.397 . . . . 75.01 110.845 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mt -47.84 -53.92 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 73.44 110.886 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -55.93 -46.44 78.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.919 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.8 mt -57.08 -52.99 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 71.42 111.099 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.4 mt -56.88 -37.98 56.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.1 111.133 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.05 -55.31 34.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 75.01 110.853 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -55.97 -56.97 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 54.24 110.871 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.2 mt -55.03 -45.86 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 73.1 111.11 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.79 -56.15 24.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 61.24 112.485 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -57.7 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 75.14 110.904 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.13 -49.53 71.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 74.12 111.088 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -55.16 -51.89 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 65.33 110.928 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.4 tp -51.09 -56.52 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 74.35 110.927 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -42.25 71.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.26 -72.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.876 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.5 t -52.95 -45.28 67.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 73.55 111.185 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -54.95 -35.79 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.915 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.15 -29.94 24.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.859 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -75.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 75.41 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t -178.21 154.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 65.5 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -74.39 -173.46 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 75.32 110.925 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.2 m -120.69 -170.21 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 65.24 110.859 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.6 t -60.59 -25.08 65.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 74.24 110.871 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 t 63.13 27.96 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.854 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -107.92 -31.91 7.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 72.4 110.907 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -141.17 160.85 56.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 74.51 110.892 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.63 66.86 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 75.32 112.329 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.9 -37.64 0.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 61.34 112.524 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.81 -176.08 5.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.743 0.306 . . . . 73.42 111.171 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 79.6 m -47.86 -36.58 12.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.907 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.44 -72.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 74.52 111.117 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -53.24 -34.8 58.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.43 110.866 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.2 -57.9 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 73.41 111.105 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 55.9 mt -56.15 -54.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.24 111.152 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -43.25 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.3 110.901 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.8 m -56.73 -56.62 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.111 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.1 mt -55.31 -48.84 73.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 74.02 110.918 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.6 -14.56 29.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 64.53 112.451 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.94 -4.87 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 71.11 110.888 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.91 -13.88 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.137 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.4 tp -48.8 -31.42 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.147 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.421 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -47.75 -71.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.879 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.18 -37.93 70.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.894 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.69 -75.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.937 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -52.2 -61.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.892 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' LEU . 92.6 p -36.78 -62.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 75.45 110.88 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -55.35 -46.97 76.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 71.14 110.853 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.28 -58.74 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 61.02 111.073 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.6 mt -52.49 -51.54 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.111 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.38 -65.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 70.12 111.159 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -21.31 11.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 74.21 110.903 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.438 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 6.2 m -85.31 150.34 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.83 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.402 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -97.98 -173.4 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 74.53 110.869 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.607 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 14.8 mt-30 -42.62 -52.54 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.881 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -68.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.842 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.402 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 19.1 m170 -47.46 -59.27 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.52 -38.55 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.35 110.886 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -61.47 -44.76 96.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 63.52 110.889 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -57.87 -49.42 76.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.908 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.2 mt -57.64 -50.4 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.1 111.136 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -52.41 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.04 110.883 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 ttm -55.85 -49.5 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.905 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.6 tp -51.06 -50.03 59.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 65.3 110.943 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.499 HD12 HG22 ' A' ' 145' ' ' ILE . 0.7 OUTLIER -55.28 -48.52 73.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.909 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -51.52 -49.42 61.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 73.21 110.857 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.9 mt -57.76 -43.04 83.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 75.14 111.144 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -53.58 -59.09 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 71.42 110.931 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -55.1 -49.87 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 75.42 110.85 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -53.5 -64.27 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.888 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.5 t -55.46 -66.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 75.22 110.836 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 129.86 77.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 65.2 112.478 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.5 mp -104.33 -76.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 74.02 110.922 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -92.14 14.74 15.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.894 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.79 175.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 71.52 110.886 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? 57.7 23.11 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 64.34 110.858 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.06 -55.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.859 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 61.85 165.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.904 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.538 ' CD1' ' N ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -140.59 128.57 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 73.33 110.918 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.431 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 4.6 t30 -56.56 -21.29 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.898 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . -41.08 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 72.24 111.087 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.499 HG22 HD12 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.55 -24.15 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 75.34 111.14 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.431 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 5.5 ttt180 -42.53 -49.85 5.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.902 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.6 t -68.57 103.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.849 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -48.43 -26.78 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.884 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 2.6 m -46.91 -32.19 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.561 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 15.6 m-85 -57.83 -95.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.887 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.55 ' O ' ' HB3' ' A' ' 155' ' ' GLU . . . -38.73 -39.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 75.24 111.086 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 31.1 mtp -59.8 -69.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.881 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.59 -51.12 62.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.907 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.561 ' HB3' ' O ' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -46.92 -28.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 75.2 110.905 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.55 ' HB3' ' O ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -90.3 28.59 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 72.34 110.868 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 178.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.31 110.857 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -52.0 104.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 75.15 110.823 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -146.53 -176.69 5.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 61.53 110.87 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -55.27 144.61 24.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 64.4 110.857 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -150.42 -177.58 6.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.856 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.863 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.822 0.344 . . . . 75.13 110.83 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 5.0 t70 58.41 32.79 22.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 64.23 110.86 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 12.9 p30 -176.42 162.18 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 73.35 110.833 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.32 -26.5 63.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 64.01 110.909 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.03 -76.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 64.15 110.888 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . -62.2 115.36 7.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 63.34 112.499 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -96.22 102.01 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.918 0.39 . . . . 75.41 110.913 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 27.4 t30 -78.08 114.34 41.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.628 0.728 . . . . 72.52 110.915 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.22 36.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 73.43 112.358 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -9.54 58.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.883 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 11.8 p -85.1 156.44 21.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.14 111.163 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 75.02 110.912 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.703 0.287 . . . . 75.23 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -146.38 126.21 13.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.51 110.95 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -74.38 -26.16 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 73.45 110.897 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -65.74 -14.74 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.892 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -143.14 74.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.874 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -100.76 -163.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.899 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -46.82 -29.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 63.33 110.821 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -49.72 -58.08 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.921 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -53.53 -51.19 63.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.92 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -56.28 -68.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 74.15 110.886 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.49 -44.65 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 74.3 111.113 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.85 -50.53 63.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.21 111.064 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 m -57.61 -52.19 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.15 111.15 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 10.1 tp -55.5 -55.48 31.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 72.32 110.93 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -49.41 -58.31 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.88 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 t -56.86 -28.73 62.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 74.4 110.891 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -62.08 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 63.11 110.848 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -57.0 -35.15 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.915 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -55.53 -23.1 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 62.53 110.91 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.35 -176.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.923 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -10.03 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.914 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.6 m -122.68 -51.41 1.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 72.52 110.816 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.58 21.61 7.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 41.13 112.528 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.8 mm -140.23 117.7 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 74.13 111.109 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.6 m -152.77 119.06 5.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 75.05 110.823 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.21 -50.19 60.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 71.22 112.476 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -49.72 -51.96 34.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 73.04 110.824 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -55.06 -64.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.917 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.2 mt -49.23 -41.76 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 74.02 111.16 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -56.79 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.89 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -52.86 -48.76 66.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 75.4 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.3 mt -56.8 -52.83 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.964 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 m -57.51 -72.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 73.22 111.115 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -41.22 -44.68 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 64.23 111.164 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -57.37 -55.94 28.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.897 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.72 -52.67 46.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 63.23 111.135 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.85 -48.24 80.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.895 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.71 -27.47 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.83 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -131.8 86.08 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.84 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.1 mm -80.37 0.65 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 62.14 111.11 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -88.17 12.24 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 70.24 110.873 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 pt -139.22 30.82 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 73.12 111.172 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -57.49 -37.62 73.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.01 110.885 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 t -57.95 -73.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.898 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -46.2 26.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 75.24 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.23 -71.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.099 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.2 mm -47.26 -48.43 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 62.22 111.115 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -57.61 -41.54 81.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.827 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.1 tp -58.09 -67.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.918 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.7 pt -46.54 -46.53 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 63.22 111.136 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.9 mt -56.37 -59.59 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 74.32 111.118 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.58 -52.57 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.02 110.899 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.405 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 2.9 t80 -49.36 -37.62 25.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 75.41 110.956 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.624 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 8.0 p -63.25 -76.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 73.43 110.843 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' N ' ' OG ' ' A' ' 54' ' ' SER . 6.6 ptt85 -42.69 -35.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 74.11 110.849 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.94 -75.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.904 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.8 m -46.54 151.28 1.04 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 73.12 110.9 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -155.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 74.12 112.32 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.429 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 10.4 p-10 -38.77 -46.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.89 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -44.01 -41.63 5.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 74.42 110.874 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.591 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.2 -49.25 77.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 72.04 110.852 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.567 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 7.3 mttp -43.5 -67.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.913 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.78 -58.48 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 74.24 110.88 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -50.04 -72.28 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 72.3 112.494 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' GLY . 39.7 t -37.68 -56.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 62.52 110.863 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.81 -54.83 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 75.44 110.943 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -57.46 -46.55 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.909 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.5 mt -55.82 -54.43 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.34 111.107 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.3 mt -56.03 -38.09 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 71.11 111.16 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -57.11 -54.42 46.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.01 110.913 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -56.39 -64.88 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 62.14 110.898 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 39.9 mt -51.51 -44.58 33.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 75.05 111.109 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.35 -56.39 19.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.764 . . . . 62.03 112.508 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 mtm105 -53.35 -58.01 8.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 73.31 110.876 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.56 -58.77 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 72.03 111.091 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -50.85 -46.05 59.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.905 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 tp -53.48 -53.85 45.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 74.14 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -41.56 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.861 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.91 -71.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.855 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -40.73 68.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.12 111.133 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -55.36 -39.32 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 73.45 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -59.72 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.854 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -92.97 -75.85 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.915 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 t -174.66 -175.06 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.878 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -102.13 -170.01 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 64.12 110.869 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -130.15 -176.37 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 72.34 110.842 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -179.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 54.14 110.861 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.8 p -119.76 41.34 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 71.11 110.845 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -137.15 111.11 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 73.32 110.893 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? 64.4 154.3 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 73.22 110.885 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 168.4 21.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.244 . . . . 73.53 112.345 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.92 -33.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 75.4 112.502 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.9 -176.06 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 72.33 111.15 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 p -45.23 -44.76 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 75.2 110.884 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.07 -76.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.41 111.083 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -51.07 -34.98 32.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 73.53 110.908 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.5 -56.14 24.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 64.44 111.111 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 74.8 mt -56.63 -54.84 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 74.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -43.6 74.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 73.32 110.878 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.4 m -56.76 -55.53 33.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 63.44 111.152 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.6 mt -52.86 -53.09 53.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.892 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.49 -15.23 23.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 74.23 112.521 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.41 -13.01 41.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 72.31 110.904 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 m -120.02 -19.28 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 74.25 111.136 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.6 tp -52.44 -27.19 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 71.43 111.135 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.21 -69.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 75.44 110.927 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.09 -43.81 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.55 110.879 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.2 mt -54.89 -68.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 72.13 110.915 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.5 OUTLIER -50.94 -68.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 72.53 110.94 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 109' ' ' LEU . 50.1 p -34.52 -70.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 70.22 110.876 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.99 -48.19 52.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 64.12 110.818 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.493 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -47.53 -59.59 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 65.43 111.142 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -58.31 -41.2 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.51 111.162 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.91 -71.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 75.01 111.073 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -42.44 74.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 71.14 110.883 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.449 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 5.8 m -49.74 143.3 7.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 62.43 110.859 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.435 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -94.88 -172.19 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.888 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.615 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 7.8 tt0 -43.46 -52.69 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.944 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.07 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 70.01 110.888 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.435 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 38.8 m170 -48.77 -60.05 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.834 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.92 -38.66 7.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.904 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -44.98 95.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 64.14 110.905 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -58.18 -51.93 67.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 51.5 mt -56.88 -51.48 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.12 111.117 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -54.3 16.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.91 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.37 -48.5 74.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.859 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.8 tp -54.72 -43.93 73.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 72.22 110.878 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -49.7 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.926 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.48 -55.01 36.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.833 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 55.9 mt -56.81 -38.7 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.137 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -54.81 -61.42 2.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.928 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -55.8 -47.04 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.87 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -55.14 -59.22 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.855 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.3 t -51.52 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.843 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 160.74 34.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 71.34 112.464 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.67 -161.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 72.44 110.917 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -43.49 155.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.868 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -70.43 78.81 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.52 110.882 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -63.87 -33.7 76.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.89 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.0 t -67.17 -12.7 60.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 70.23 110.869 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -123.93 -2.69 8.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 75.02 110.925 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 tp -80.41 96.56 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.874 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 144' ' ' ALA . 1.9 t30 -42.88 -33.29 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.897 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -39.55 -94.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 72.24 111.076 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -22.77 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 73.42 111.176 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.406 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 3.4 ttt180 -41.99 -51.59 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 74.24 110.907 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.0 t -61.98 94.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 62.34 110.897 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -46.72 -28.54 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 73.01 110.887 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 16.5 m -47.52 -33.28 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 75.5 110.847 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -56.4 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 73.15 110.88 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.416 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -45.06 -49.73 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 74.11 111.111 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.421 ' CG ' ' N ' ' A' ' 153' ' ' ASP . 0.2 OUTLIER -52.58 -45.69 66.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.847 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.421 ' N ' ' CG ' ' A' ' 152' ' ' MET . 14.6 t70 -66.62 -68.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.89 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -50.56 -29.93 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.948 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.6 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.916 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 57.66 46.82 16.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 73.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.31 177.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 72.42 110.85 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -81.19 60.7 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.858 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -162.64 124.23 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.865 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 67.7 t60 62.39 63.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 74.3 110.89 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.854 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.818 0.342 . . . . 64.24 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.27 -66.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.03 176.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.818 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.77 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 70.14 110.937 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 59.7 m-20 53.29 -171.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.871 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 54.38 77.29 0.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 73.34 112.496 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 19.1 t80 -117.45 142.13 47.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.389 . . . . 71.55 110.897 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 13.1 p30 -142.57 153.46 61.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 74.54 110.898 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -24.27 29.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 74.43 112.376 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -15.62 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.941 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -169.75 126.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 75.03 111.166 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.949 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 ptp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.703 0.287 . . . . 70.2 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -150.64 127.42 10.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 74.1 110.945 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.89 -24.34 10.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.885 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -57.79 -23.18 51.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.859 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -129.45 56.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.867 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.5 -164.36 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 74.43 110.854 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -49.26 -26.0 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.89 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.93 -57.71 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.932 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -52.34 -50.73 61.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CZ ' HG22 ' A' ' 46' ' ' ILE . 45.0 t80 -56.45 -70.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 64.44 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -46.57 -45.66 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 64.2 111.155 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.12 -47.15 72.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 74.44 111.117 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.5 m -58.42 -53.26 60.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 73.53 111.158 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 tp -56.38 -53.98 51.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.897 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.81 -55.86 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.893 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 t -59.63 -31.48 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 73.01 110.848 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 20' ' ' LEU . 14.0 t80 -51.42 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 75.23 110.892 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -61.22 -37.07 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 75.15 110.914 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.97 -14.97 10.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 72.12 110.857 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.521 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.54 176.26 1.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.924 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 -13.22 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 73.44 110.879 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 p -85.59 -8.91 58.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.847 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.403 ' H ' ' HG ' ' A' ' 20' ' ' LEU . . . 92.33 -40.6 2.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 73.13 112.519 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.9 mt -141.15 141.7 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 74.02 111.128 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 t -126.43 113.27 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.887 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.73 -56.53 23.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 73.03 112.484 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -44.38 -47.83 9.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 74.15 110.857 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -54.83 -56.05 23.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.875 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.8 mt -49.44 -44.49 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 70.24 111.144 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -56.04 -57.11 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 74.33 110.911 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -50.61 -49.2 57.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.92 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.81 -51.4 69.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.943 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 m -56.69 -70.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.089 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.7 t -44.39 -44.65 8.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 71.33 111.115 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -58.02 -56.85 16.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.902 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.78 -57.8 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 63.53 111.094 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.75 -48.72 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.14 110.92 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.4 -26.81 54.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.859 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -129.66 83.76 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.862 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.1 mm -78.4 -0.6 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 75.51 111.143 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -90.92 20.68 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 61.42 110.892 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.415 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.4 pt -149.45 27.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.11 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 44' ' ' SER . 0.3 OUTLIER -58.2 -33.96 69.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.894 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 16.2 t -59.01 -72.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.887 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -48.54 -45.99 38.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 72.42 110.902 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.4 HG22 ' CZ ' ' A' ' 10' ' ' PHE . 50.7 mt -56.95 -69.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 71.41 111.134 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -48.75 -47.4 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.114 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -57.82 -43.54 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.905 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.4 tp -57.59 -67.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.077 -0.51 . . . . 62.15 110.902 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 pt -44.79 -46.07 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 74.1 111.063 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.34 -54.84 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.25 111.124 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -42.86 83.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.868 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 3.3 t80 -56.61 -38.43 72.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.896 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 27.0 p -63.66 -68.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 72.52 110.87 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.01 -26.96 63.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 75.32 110.891 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 53' ' ' TYR . 4.4 mt -42.38 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.901 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.674 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -94.86 169.93 8.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 73.44 110.91 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.4 Cg_endo -69.81 -158.08 0.05 OUTLIER 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.65 2.233 . . . . 64.44 112.383 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -29.53 -54.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 74.11 110.883 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' ASP . 10.7 p -34.09 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.904 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.674 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 4.6 m170 -60.65 -38.95 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 65.32 110.861 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -45.83 -61.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 74.54 110.859 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.1 tp -57.5 -56.98 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.902 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.22 -60.78 5.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.682 -0.771 . . . . 45.3 112.506 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.1 -47.96 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 63.14 110.843 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mt -49.12 -50.44 37.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 60.42 110.937 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -56.27 -49.59 73.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.935 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.2 mt -56.88 -56.29 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 73.53 111.121 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.7 mt -56.51 -35.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 75.44 111.115 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.82 -55.66 31.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.867 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -55.88 28.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 55.04 110.852 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 74.9 mt -55.37 -45.89 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.134 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.13 -57.95 16.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.734 . . . . 72.14 112.481 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.31 -55.98 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 74.11 110.878 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.88 -53.21 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 64.04 111.072 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -53.03 -47.11 68.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 71.54 110.875 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 tp -54.82 -53.78 50.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 75.23 110.924 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.2 -39.63 69.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 63.4 110.908 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.88 -66.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 65.33 110.846 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 t -55.71 -51.35 67.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 74.42 111.143 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -55.61 -29.75 59.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.11 -32.67 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.4 110.808 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -128.47 -63.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.885 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -168.86 159.15 9.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 52.35 110.885 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -122.17 -170.41 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.52 110.878 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 t -129.42 -179.52 5.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 65.41 110.9 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -93.13 -175.3 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 71.23 110.878 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.1 125.57 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.807 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -179.45 -174.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.493 . . . . 72.55 110.891 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -51.71 159.36 1.32 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 73.21 110.871 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 164.15 35.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 74.03 112.342 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.44 -39.52 0.1 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 74.21 112.52 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.79 -177.38 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 75.24 111.113 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -41.17 -54.54 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 65.02 110.916 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.3 -66.3 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 63.03 111.118 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -51.67 -36.46 46.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.886 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.48 -61.42 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 51.33 111.089 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 68.3 mt -52.34 -42.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 75.11 111.126 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -56.03 -53.56 55.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 54.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 m -55.48 -55.2 34.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.51 111.13 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.0 mt -51.26 -56.13 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 74.04 110.895 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.09 -14.85 26.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 63.45 112.482 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.15 -8.56 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 75.11 110.866 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.9 m -123.89 -14.64 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.119 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.4 tp -49.63 -30.26 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 72.23 111.134 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -71.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.897 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -56.41 -39.9 73.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 65.2 110.873 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.1 mt -56.78 -74.39 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 73.35 110.896 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.2 OUTLIER -51.21 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.952 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.4 p -35.56 -58.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 65.11 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -56.19 -51.97 66.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.86 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.65 -58.9 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 72.43 111.072 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 109' ' ' LEU . 3.1 mt -53.0 -51.95 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 73.41 111.142 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.45 -68.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 63.4 111.116 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -47.97 -50.82 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.845 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.403 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 4.3 m -50.54 153.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 72.33 110.877 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -94.92 -169.91 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.916 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.623 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.6 tt0 -49.13 -51.66 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -62.94 -64.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 73.43 110.866 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 116' ' ' SER . 14.6 m170 -49.38 -59.64 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.35 110.857 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.623 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.2 OUTLIER -45.81 -38.57 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 72.33 110.895 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -60.66 -45.77 92.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.898 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -58.12 -48.75 79.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.861 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.75 -48.58 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 73.13 111.153 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -52.78 40.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.84 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -47.99 76.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.05 110.866 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 21.0 tp -54.61 -45.6 73.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.918 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.93 -48.95 74.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.948 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.6 -48.89 71.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.852 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.3 mt -57.81 -41.34 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.32 111.12 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 33.2 m0 -54.88 -58.26 8.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.963 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -55.47 -52.7 62.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.829 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -54.84 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.879 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.1 t -50.8 -53.13 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 71.35 110.9 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 137.93 -5.5 3.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 72.13 112.467 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 14.1 tp -58.03 128.48 37.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 75.21 110.9 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 57.66 26.51 13.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 70.4 110.909 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -92.0 16.96 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 72.22 110.918 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -96.32 -5.04 40.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.859 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.96 105.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 74.13 110.871 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -51.76 171.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 70.13 110.932 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.53 ' CD1' ' N ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -143.32 128.19 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.903 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 24.0 m-80 -57.0 -20.0 21.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 60.44 110.879 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -42.82 -95.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.079 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -23.38 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 71.31 111.103 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.424 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 2.3 ttt85 -45.76 -51.09 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.831 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 33.2 t -67.34 108.19 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.85 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -50.19 -24.89 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 71.04 110.908 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 42.2 t -48.69 -31.31 6.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -54.9 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 75.31 110.867 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.448 ' HA ' HD13 ' A' ' 154' ' ' LEU . . . -47.83 -46.78 31.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 71.2 111.093 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 28.5 mmm -50.95 -51.38 52.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.3 110.917 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -63.14 -67.46 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 71.33 110.856 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 151' ' ' ALA . 1.0 OUTLIER -49.86 -28.96 7.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.937 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 156' ' ' HIS . 0.5 OUTLIER -57.12 -173.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 74.2 110.903 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 155' ' ' GLU . 20.5 p80 37.98 49.48 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.884 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.66 17.35 24.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.883 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.27 -170.61 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.883 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.06 -55.56 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 75.23 110.858 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -73.15 120.08 18.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.4 110.888 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 73.23 110.895 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.329 . . . . 75.02 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -132.59 -74.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 74.54 110.866 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.64 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 74.31 110.873 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -176.31 36.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.89 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.75 175.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 75.43 110.862 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 112.72 95.24 2.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 63.12 112.506 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 32.0 t80 -151.61 114.57 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 72.22 110.914 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 5.6 p30 -96.22 154.64 38.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 74.44 110.859 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -15.37 36.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 75.13 112.326 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 11.5 p90 -106.71 32.14 4.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.935 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 1.8 t -69.36 -25.37 64.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 73.2 111.175 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.885 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tpt . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.787 0.327 . . . . 74.22 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -124.4 57.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.945 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 56.96 24.05 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.956 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -100.13 118.06 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 63.31 110.862 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.3 t70 65.06 55.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 65.34 110.831 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.2 -164.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 75.03 110.887 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -47.77 -27.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 74.51 110.9 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -50.01 -56.53 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 75.12 110.932 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.32 -52.51 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.32 110.861 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -55.53 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.6 -45.01 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 64.24 111.116 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.08 -49.46 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.11 111.088 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -57.4 -53.71 55.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 75.01 111.14 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -56.48 -52.62 64.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 70.02 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.17 -57.15 7.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.859 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -55.5 -32.03 62.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 63.34 110.892 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.4 -61.58 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.876 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -55.41 -35.47 65.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 75.32 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -57.11 -23.1 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 74.44 110.889 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.3 mt -72.59 158.88 34.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.945 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.18 58.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.916 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.48 37.81 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.824 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.09 -45.51 6.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 75.13 112.512 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mm 61.03 82.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 75.43 111.164 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.66 124.44 37.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.833 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.61 -37.79 69.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.772 -0.728 . . . . 72.44 112.459 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 t -51.17 -43.89 61.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 72.55 110.851 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -54.63 -63.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 72.42 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.0 mt -50.32 -40.89 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.02 111.163 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -59.41 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.54 110.912 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -51.83 -47.06 64.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.903 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 mt -57.61 -53.79 54.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 74.43 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 m -57.6 -71.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 73.43 111.122 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -40.82 -44.97 2.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 63.23 111.163 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -59.39 -57.42 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.862 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.15 -57.33 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 75.12 111.079 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mp -56.6 -47.43 79.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 74.42 110.97 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.44 -25.18 49.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 52.32 110.851 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -131.42 85.31 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 64.12 110.85 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 mm -80.06 2.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 74.42 111.13 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.83 19.65 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 73.44 110.868 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 pt -149.85 35.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.44 111.143 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -59.36 -38.0 79.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 71.42 110.851 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 t -57.52 -74.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.854 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.17 -48.65 9.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.923 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.0 mt -56.4 -73.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.24 111.138 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.2 mm -44.78 -49.34 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 75.54 111.147 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 m -56.99 -43.39 81.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 61.43 110.828 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.26 -67.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.928 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 pt -46.44 -45.75 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 74.44 111.134 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 70.9 mt -55.23 -59.3 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 71.33 111.168 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -51.09 70.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.85 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.55 -38.85 21.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.21 110.919 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.565 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 11.2 p -62.38 -74.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 74.52 110.875 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.6 ptt85 -44.48 -34.21 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 75.15 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.87 -78.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.916 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 61' ' ' HIS . 60.1 m -47.78 149.35 2.28 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.643 0.735 . . . . 72.33 110.882 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.9 Cg_endo -69.77 -152.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 74.13 112.307 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -37.77 -45.39 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.925 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -43.86 -41.95 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.82 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.535 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -58.11 -47.03 84.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.833 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.535 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 6.7 mtmp? -41.72 -68.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.894 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.0 tp -60.32 -60.66 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.952 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.18 -73.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.676 -0.773 . . . . 74.14 112.489 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' GLY . 46.7 t -36.89 -59.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 74.11 110.902 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.42 -54.32 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 62.32 110.894 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -57.39 -46.83 83.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.948 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.5 mt -55.6 -55.69 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.43 111.116 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 mt -55.96 -37.38 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.34 111.16 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.23 -56.11 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 74.33 110.888 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 p -55.82 -64.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.875 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.1 mt -51.99 -45.83 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 74.01 111.14 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.63 -62.19 6.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.747 -0.74 . . . . 72.21 112.479 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -49.11 -55.1 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 70.21 110.816 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.91 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.52 111.089 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -47.18 -50.07 21.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.922 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -63.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.938 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -40.49 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.887 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -55.2 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.882 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.6 t -55.16 -36.18 65.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 70.55 111.136 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -55.44 -41.57 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 64.24 110.855 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -51.29 -29.69 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.866 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -108.13 -76.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.911 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t 179.92 139.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 63.25 110.863 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -108.33 -169.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.33 110.933 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.8 t -173.11 147.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 74.2 110.849 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.5 p -109.65 164.15 12.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 75.1 110.815 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.0 t 51.51 67.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 61.1 110.854 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -141.47 -166.43 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 71.03 110.928 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -106.16 160.2 27.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.545 0.688 . . . . 73.24 110.918 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 137.9 36.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 74.44 112.388 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.32 -29.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 75.02 112.467 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.69 -178.46 6.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 61.21 111.189 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 95' ' ' ALA . 68.0 m -48.41 -43.97 34.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 72.12 110.925 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' CYS . . . -37.54 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 71.44 111.08 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -52.14 -38.8 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.858 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.1 -57.38 10.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 52.5 111.134 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 63.8 mt -56.34 -48.75 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 64.51 111.147 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -56.36 -56.64 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.872 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.1 m -51.15 -55.01 19.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 70.1 111.153 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.5 mt -50.03 -57.95 6.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 71.11 110.927 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.28 -14.13 32.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 44.24 112.522 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.68 -13.85 33.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 55.31 110.901 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 m -118.44 -20.8 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 74.24 111.112 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.2 tp -50.87 -29.39 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.21 111.138 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -69.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.934 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -56.16 -39.51 72.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 72.54 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.2 mt -55.06 -69.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 72.1 110.906 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -55.39 -63.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.871 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 109' ' ' LEU . 78.0 p -36.64 -67.07 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.87 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.19 -45.08 61.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 75.35 110.841 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.489 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.55 -59.73 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 64.01 111.084 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.7 mt -50.9 -48.28 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 61.23 111.128 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.08 -69.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.45 111.124 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -30.32 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.913 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -68.6 147.58 51.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.861 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -94.47 -167.6 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.608 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.5 tt0 -50.5 -51.63 45.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.919 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.82 -62.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -50.67 -59.95 3.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.856 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -46.53 -37.86 8.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.843 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.92 -46.51 89.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.874 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -58.14 -51.49 69.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.897 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 48.9 mt -56.24 -49.95 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.42 111.141 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -52.32 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.887 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.18 -51.47 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 74.34 110.86 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 50.9 tp -52.66 -44.34 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 75.43 110.92 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.428 HD11 HG22 ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.53 -50.63 71.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 75.34 110.902 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.58 -50.38 60.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 70.03 110.867 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.4 mt -57.0 -42.87 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 64.1 111.197 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -54.03 -53.11 57.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.956 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.18 -54.44 45.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 71.31 110.914 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -55.72 -74.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.833 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.7 t -57.89 -74.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.872 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 147.27 122.93 1.38 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 74.0 112.518 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.86 -67.78 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 75.13 110.903 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -113.59 -77.42 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.855 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -89.31 -174.31 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 74.44 110.861 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -15.56 57.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 74.35 110.923 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 73.2 m -154.11 -45.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 62.33 110.857 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 178.11 -171.97 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.931 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -117.42 159.1 23.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 74.41 110.933 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 34.1 m-80 -45.49 -31.26 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 62.35 110.874 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -38.56 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 74.34 111.122 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.428 HG22 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.9 -24.79 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 75.31 111.107 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 0.6 OUTLIER -40.63 -51.38 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.896 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.2 p -58.23 99.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.874 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -45.13 -32.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.889 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 49.8 t -44.73 -31.52 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 70.33 110.899 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 3.5 m-30 -58.45 -95.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.35 110.922 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.494 ' HA ' ' CD2' ' A' ' 154' ' ' LEU . . . -38.52 -41.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 53.14 111.11 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.462 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 34.9 mmm -60.03 -71.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.894 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.93 -58.43 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.842 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -41.11 -33.85 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.903 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.474 ' N ' ' CD2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -59.57 -62.34 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.892 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -60.96 160.93 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 74.12 110.834 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -156.43 -177.7 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 64.03 110.855 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -67.64 -177.66 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 75.31 110.843 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -163.22 -179.72 6.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 74.01 110.846 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.1 m80 55.99 30.23 15.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.865 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 73.01 110.869 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 73.31 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.53 78.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 52.12 110.858 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 26.6 t0 -140.01 47.3 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 41.42 110.85 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 14.1 tt0 59.99 31.83 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 73.01 110.915 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -63.41 177.31 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 74.22 110.866 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 54.63 68.29 1.75 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 75.34 112.484 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 7.0 t80 -59.47 118.56 6.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.896 0.379 . . . . 75.4 110.967 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1008 ' ' ASN . . . . . 0.415 ' OD1' ' HD2' ' B' 1009 ' ' PRO . 2.2 t-20 -62.26 138.41 96.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 74.42 110.877 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1009 ' ' PRO . . . . . 0.415 ' HD2' ' OD1' ' B' 1008 ' ' ASN . 53.9 Cg_endo -69.78 -23.18 31.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.254 . . . . 73.14 112.354 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1010 ' ' TYR . . . . . 0.443 ' C ' ' CG2' ' B' 1011 ' ' THR . 26.4 p90 -119.24 25.92 9.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 70.1 110.924 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1011 ' ' THR . . . . . 0.443 ' CG2' ' C ' ' B' 1010 ' ' TYR . 0.1 OUTLIER -158.64 150.63 21.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 74.31 111.155 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.954 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.724 0.297 . . . . 74.11 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -175.95 128.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 72.23 110.922 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.91 60.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 71.32 110.928 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.82 -24.55 8.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 65.44 110.872 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -139.75 67.26 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 75.33 110.854 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.88 -163.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 72.52 110.894 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -48.19 -27.32 2.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -50.2 -56.81 9.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 72.13 110.916 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -53.55 -52.14 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 73.03 110.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -56.18 -68.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.903 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.43 -45.76 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.146 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.66 -51.17 61.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.03 111.095 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -57.37 -52.99 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 72.22 111.169 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 15.8 tp -55.36 -54.68 40.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.916 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.78 -56.58 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.903 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 t -56.15 -30.91 62.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 64.32 110.82 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.1 -64.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 75.15 110.899 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -56.5 -37.16 70.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.943 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -55.75 -26.65 46.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.875 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.8 mt -55.43 176.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.923 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.29 -25.22 24.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.04 110.896 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -114.91 -53.69 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.879 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.71 35.05 1.77 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 64.23 112.501 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.1 mp -144.6 140.69 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 75.33 111.111 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.12 115.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.51 110.855 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.88 -50.18 51.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 73.12 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -49.29 -52.57 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 74.3 110.817 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -55.37 -64.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.922 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -47.91 -42.58 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 75.54 111.152 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -55.38 -56.79 16.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 72.41 110.927 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -51.73 -47.72 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.35 110.926 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.77 -52.45 65.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.907 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 m -57.32 -71.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.131 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -41.8 -44.91 3.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.168 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -58.25 -55.8 30.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.35 110.915 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.61 -57.38 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 74.24 111.12 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.5 mp -57.38 -46.7 83.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 71.52 110.923 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.38 -28.07 40.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 75.45 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -130.6 85.05 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.877 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.451 ' O ' ' CG2' ' A' ' 40' ' ' ILE . 45.9 mm -76.37 -1.43 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 75.31 111.158 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -92.72 26.23 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.872 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.8 pt -155.15 32.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.53 111.126 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' HG3' ' C ' ' A' ' 93' ' ' THR . 1.0 OUTLIER -62.84 -42.06 99.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.906 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.4 t -51.67 -69.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 72.35 110.881 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.82 -49.03 50.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.845 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.9 mt -55.16 -69.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 74.24 111.155 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.3 mm -45.84 -49.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 64.03 111.134 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -56.48 -41.92 77.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 54.51 110.854 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.2 tp -58.16 -66.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 63.32 110.942 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.8 pt -47.64 -44.25 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.33 111.109 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.5 mt -55.47 -62.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.138 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.02 -48.61 75.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.849 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.458 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -51.43 -38.81 55.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.918 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.553 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 12.9 p -62.7 -72.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 70.1 110.823 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.553 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -43.35 -34.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.891 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.3 mt -57.68 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.924 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.569 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -51.3 141.09 22.6 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.624 0.726 . . . . 75.0 110.892 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -98.82 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.672 2.248 . . . . 74.24 112.355 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.6 OUTLIER -68.63 -53.39 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.903 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER -38.14 -50.08 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.863 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.569 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.48 -52.04 67.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.842 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.527 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 7.1 mtmp? -36.05 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.925 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tp -62.68 -55.83 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.53 110.897 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -49.48 -78.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.721 . . . . 75.53 112.459 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' GLY . 32.0 t -36.75 -56.85 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 74.54 110.905 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 mt -41.5 -56.38 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 74.11 110.917 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -57.05 -45.65 83.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.914 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.6 mt -55.76 -56.13 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 64.34 111.109 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.6 mt -55.87 -36.99 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 75.52 111.139 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -56.7 18.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.888 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -55.35 -63.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 73.14 110.877 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.8 mt -52.5 -44.19 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 74.21 111.128 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.71 -61.41 7.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 73.23 112.501 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -53.69 21.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 74.42 110.865 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.22 -59.6 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.12 111.08 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -49.16 -49.26 43.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 73.45 110.946 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.7 tp -52.07 -60.92 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 75.31 110.925 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -41.2 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.851 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -55.28 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.867 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 t -54.97 -42.7 72.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.156 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -55.49 -35.39 65.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.867 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.6 t -50.99 -38.05 48.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.895 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -114.37 -75.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 74.14 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -170.11 163.81 9.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.12 110.871 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -119.13 93.93 4.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 75.22 110.896 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.22 120.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 70.33 110.873 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -134.51 -74.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.01 110.866 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -175.45 -170.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.852 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -67.83 158.11 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 65.31 110.894 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp 63.29 160.5 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 75.13 110.865 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.1 Cg_endo -69.73 148.6 65.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 62.22 112.374 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.39 -33.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 71.11 112.484 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 94' ' ' CYS . 0.1 OUTLIER -137.21 162.86 32.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 73.54 111.119 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' THR . 3.4 m -34.39 -57.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.842 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' CYS . . . -34.86 -72.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.15 111.14 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 3.3 t-80 -54.89 -42.05 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.871 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.98 -58.03 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 63.32 111.124 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 71.9 mt -55.33 -47.44 77.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 72.34 111.131 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -55.8 -54.69 41.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.867 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.7 m -52.36 -55.87 18.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 73.3 111.165 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.2 mt -50.14 -58.41 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.911 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.59 -15.11 24.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 62.41 112.518 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.77 -12.28 45.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 74.53 110.922 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 m -122.31 -18.87 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 74.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.5 tp -49.19 -30.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 75.03 111.129 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.96 -69.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.45 110.868 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.38 -39.55 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 65.05 110.872 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 50.0 mt -55.88 -71.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.917 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -53.9 -65.86 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 64.51 110.899 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 109' ' ' LEU . 88.1 p -34.81 -58.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.855 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -54.72 -55.18 32.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 73.51 110.904 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.472 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -48.12 -56.37 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.23 111.117 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 mt -55.46 -42.72 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.23 111.08 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.34 -69.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.13 111.106 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -55.23 -46.92 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 m -46.04 146.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 75.01 110.86 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.425 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -98.76 -171.86 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 65.11 110.943 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.593 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 6.9 mp0 -44.19 -51.97 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 71.24 110.941 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.66 -65.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 72.51 110.887 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.425 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 43.5 m170 -49.21 -60.46 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.835 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.63 -38.0 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.884 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -47.1 87.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 71.01 110.88 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -57.44 -50.28 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.0 mt -56.83 -49.26 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.23 111.138 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -50.52 -50.8 52.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.858 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.2 ttm -56.18 -51.5 67.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.903 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 18.8 tp -53.67 -44.13 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 73.31 110.937 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.442 HD11 HG13 ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.39 -49.58 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 63.34 110.91 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.31 -49.91 66.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.861 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.83 -42.47 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 71.14 111.149 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 17.1 m0 -55.25 -56.46 19.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.949 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -55.03 -53.21 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.886 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -54.27 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 73.1 110.897 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.7 t -55.82 -74.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 71.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 141.19 124.73 2.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 64.41 112.5 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.3 tp -139.28 -76.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 72.31 110.914 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -96.45 -31.63 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.861 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -179.26 165.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.933 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -71.85 78.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.856 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 50.83 54.6 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 64.53 110.896 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -126.73 11.28 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 72.31 110.947 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.5 mt -67.7 85.85 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 74.12 110.958 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -38.84 -40.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 72.44 110.88 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -42.96 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 61.44 111.094 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.442 HG13 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -63.45 -27.7 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.21 111.137 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.16 -54.66 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.883 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.2 t -53.58 102.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.85 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -48.3 -27.21 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 74.4 110.896 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 47.1 t -51.24 -30.17 16.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 72.01 110.898 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -55.09 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.22 110.851 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.448 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -48.72 -45.61 39.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 73.53 111.07 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 6.4 mmm -51.47 -51.73 52.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 75.44 110.882 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.9 -66.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.883 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.448 HD11 ' HA ' ' A' ' 151' ' ' ALA . 1.1 pp -50.41 -29.33 9.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.873 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.894 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -55.38 172.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.853 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -83.35 171.45 13.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 75.12 110.841 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 62.65 66.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.814 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -148.17 48.82 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.861 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -162.1 170.5 19.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 70.32 110.872 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 55.1 110.891 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.804 0.335 . . . . 74.11 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -52.92 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.864 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.22 167.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.851 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.36 -65.06 0.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 72.3 110.935 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 75.1 m-20 52.73 35.53 18.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.877 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . -177.94 58.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 71.21 112.462 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.63 124.14 24.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.918 0.389 . . . . 75.13 110.964 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 39.3 t30 -94.36 118.47 67.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.732 . . . . 74.42 110.908 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -8.44 23.62 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 71.05 112.347 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -18.8 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 70.43 110.897 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 1.3 t -162.58 114.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 75.35 111.176 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 65.45 110.873 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.722 0.296 . . . . 74.21 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -165.12 -172.72 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 65.32 110.932 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -53.58 150.61 6.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 73.15 110.952 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.92 -8.03 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.844 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 t0 65.49 52.85 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 64.33 110.907 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.56 -162.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 62.12 110.88 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -48.05 -26.45 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.883 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -46.71 -57.28 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 63.22 110.919 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -53.18 -51.71 61.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.886 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -55.9 -70.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.853 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.32 -44.93 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.2 111.108 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.19 -49.03 67.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 70.23 111.094 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -57.8 -53.02 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.54 111.148 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.9 tp -56.2 -53.4 57.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.911 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.07 -59.72 3.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 71.41 110.898 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 t -57.28 -29.18 63.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 60.32 110.868 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -54.99 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 75.13 110.907 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -57.83 -36.17 71.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 73.55 110.905 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.2 -14.58 11.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 74.53 110.865 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.521 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -70.06 172.22 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 73.15 110.883 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 59.19 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.849 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.8 p -165.16 -52.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 74.31 110.838 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.63 0.66 27.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 72.34 112.493 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.2 mp -149.25 140.89 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 75.31 111.117 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -158.96 110.73 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.888 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.21 -53.33 35.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 75.13 112.487 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m -46.46 -53.18 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 71.51 110.836 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -54.18 -59.01 5.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 75.41 110.889 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.5 mt -49.53 -43.02 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.127 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -55.53 -59.75 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 72.2 110.876 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -48.22 52.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.896 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.9 -53.05 62.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.916 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.8 m -57.27 -71.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 74.23 111.122 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.5 t -41.45 -44.95 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 74.31 111.138 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -58.98 -56.77 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 72.33 110.938 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.53 -57.61 5.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 73.31 111.094 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.33 -48.55 78.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.942 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -57.05 -24.08 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.859 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -132.95 84.56 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.847 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.7 mm -78.05 -2.29 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 65.54 111.153 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -89.26 24.86 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.874 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.4 pt -152.31 29.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.13 111.164 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -57.94 -37.36 73.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 75.24 110.9 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -57.78 -73.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 60.32 110.853 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -46.24 20.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.24 110.955 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.2 mt -56.56 -71.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.54 111.136 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.1 mm -47.55 -47.69 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.131 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.9 m -57.16 -43.6 82.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.844 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -57.78 -67.97 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 75.54 110.948 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.9 pt -44.89 -45.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 70.42 111.177 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.35 -55.81 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 71.45 111.133 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -42.75 80.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 52.52 110.89 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 2.8 t80 -56.6 -38.75 72.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.915 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.488 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 37.2 p -63.4 -70.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 75.34 110.903 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.488 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -56.42 -26.69 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.44 110.861 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 53' ' ' TYR . 4.3 mt -44.05 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 74.3 110.924 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.668 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -94.33 169.49 9.69 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.603 0.716 . . . . 75.23 110.878 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.5 Cg_endo -69.77 -157.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 72.0 112.316 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' PRO . 56.7 t0 -30.02 -53.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.852 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' ASP . 65.5 m -34.0 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 73.24 110.89 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.668 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 7.2 m170 -59.89 -36.84 77.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 73.11 110.833 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 59' ' ' ASP . 2.0 mmtt -47.71 -66.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 71.04 110.899 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.3 tp -52.36 -56.89 11.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.33 -46.59 35.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 62.14 112.46 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -53.55 56.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 75.02 110.86 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -44.74 -51.83 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 75.2 110.926 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -57.14 -50.07 73.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 62.33 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.1 mt -57.13 -55.44 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 72.34 111.156 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -56.7 -35.39 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 75.2 111.097 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -56.65 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.831 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -57.27 13.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 63.02 110.892 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.5 -45.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.21 111.133 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.48 -60.55 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 75.21 112.452 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -49.61 -54.35 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 74.31 110.863 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.67 -59.34 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.42 111.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -49.26 -48.69 45.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 75.23 110.916 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 tp -52.83 -61.4 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 72.01 110.917 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.64 -40.36 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.895 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -55.18 -72.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.898 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.0 t -55.38 -42.98 74.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 72.03 111.157 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -53.98 -37.09 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.916 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -51.9 -29.84 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.845 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -116.34 -75.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 75.43 110.884 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.56 139.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.892 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -91.81 79.26 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 72.34 110.885 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.7 m -52.38 109.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -69.34 136.49 51.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 50.24 110.849 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -166.66 150.54 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 71.41 110.87 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -96.15 34.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 65.44 110.951 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -157.06 160.95 30.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 74.23 110.925 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 152.84 69.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.707 2.271 . . . . 75.11 112.315 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.26 -43.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 72.54 112.453 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.79 -174.99 5.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 53.1 111.118 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.0 m -44.58 -36.81 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.847 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.27 -70.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.079 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -54.02 -37.22 63.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.7 -56.12 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 63.31 111.092 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.17 -51.5 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.22 111.11 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -56.67 -57.38 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.922 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 55.3 m -48.78 -57.78 5.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 73.04 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 54.1 mt -49.69 -59.23 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.939 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.87 -15.07 26.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 64.33 112.465 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.96 -13.31 39.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 73.14 110.841 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 m -120.58 -18.55 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.155 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.5 tp -50.45 -29.16 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.4 111.171 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.487 ' HA ' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -51.95 -71.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 64.21 110.918 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.72 -40.21 75.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 75.33 110.866 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.5 mt -54.09 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.22 110.934 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 110' ' ' SER . 4.9 mt -55.12 -71.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.901 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 73.3 p -35.52 -57.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 54.22 110.851 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -54.57 -52.67 61.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 74.41 110.856 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.23 -49.92 40.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 72.55 111.147 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 109' ' ' LEU . 3.0 mt -56.1 -50.41 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 63.32 111.141 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.33 -62.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 73.43 111.099 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -24.23 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.882 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.5 m -85.05 159.58 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.53 110.872 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.47 -175.76 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.864 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.582 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 41.7 tt0 -42.22 -51.14 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.909 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.2 -71.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 74.13 110.921 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -46.49 -59.12 3.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -44.96 -38.94 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.913 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -62.32 -44.02 97.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 75.34 110.854 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -57.67 -47.84 81.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.865 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.66 -46.69 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 75.42 111.121 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.12 -57.17 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.52 110.863 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.6 ptm -56.93 -40.67 76.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.904 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 43.2 tp -54.17 -52.69 60.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 63.41 110.918 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.431 ' CD1' HG21 ' A' ' 145' ' ' ILE . 8.0 mt -55.83 -45.29 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 75.03 110.915 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -52.95 -51.41 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.842 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.08 -40.26 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 71.11 111.138 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -53.18 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 74.15 110.924 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.9 -37.41 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 75.31 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -55.87 -64.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.859 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.4 t -55.71 -75.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.88 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 169.8 35.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 74.31 112.495 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 -165.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 74.45 110.904 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.54 -167.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.41 110.856 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.37 74.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.897 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -91.45 -7.3 50.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.5 t -81.37 -4.81 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.21 110.84 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -153.81 24.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 74.11 110.941 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.4 tp -62.83 114.41 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.943 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.432 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 2.4 t30 -43.98 -39.49 4.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 64.45 110.887 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 106' ' ' GLN . . . -40.66 -88.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.123 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 146' ' ' ARG . 0.0 OUTLIER -66.82 -27.79 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 75.01 111.203 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 145' ' ' ILE . 5.8 ttt180 -34.67 -54.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.893 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 91.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 70.23 110.873 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.39 -34.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 73.03 110.933 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 1.8 t -44.4 -34.51 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.866 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.58 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 18.8 m-85 -58.96 -94.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.879 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.461 ' HA ' ' CD2' ' A' ' 154' ' ' LEU . . . -34.58 -45.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.35 111.099 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.503 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 0.1 OUTLIER -59.68 -72.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.883 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.19 -60.78 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.58 ' HB3' ' O ' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -38.86 -35.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 72.24 110.897 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -57.31 -74.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 65.22 110.866 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -65.72 138.42 57.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 73.54 110.869 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -172.88 -169.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.832 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -53.81 153.68 4.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.897 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.58 139.59 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.855 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -170.1 121.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.894 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.832 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.317 . . . . 71.24 110.831 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -153.42 31.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 75.03 110.87 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 37.2 t0 -132.91 27.53 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 72.11 110.85 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 2.0 tt0 52.54 34.53 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 72.2 110.854 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -175.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.898 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 87.96 147.78 14.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 65.33 112.479 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 48.0 t80 -173.75 114.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.367 . . . . 75.43 110.903 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.18 137.09 21.71 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.57 0.7 . . . . 73.12 110.921 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -14.85 36.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 72.15 112.338 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.96 1.23 32.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.42 110.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 3.4 p -122.24 162.35 21.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 74.13 111.096 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.943 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ptp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.77 0.319 . . . . 75.44 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -172.19 -176.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 65.33 110.912 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -53.69 168.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 73.45 110.919 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -69.85 -12.85 61.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 65.2 110.893 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 65.49 45.64 2.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.823 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.528 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.6 OUTLIER -85.78 -161.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.868 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.23 -14.09 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.893 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -53.26 -68.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 72.2 110.938 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 6' ' ' ASP . 8.0 p30 -52.68 -47.84 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.858 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -53.59 -70.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 75.24 110.9 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.2 t -51.43 -43.13 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 64.23 111.122 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.99 -48.09 70.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.109 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.4 m -57.73 -53.29 59.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 64.31 111.126 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.55 -50.92 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 64.33 110.911 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.91 -53.72 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 64.51 110.929 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -57.7 -30.39 65.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 55.35 110.862 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.08 -61.46 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.839 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' CB ' ' CE1' ' A' ' 61' ' ' HIS . 12.8 pttt -54.35 -36.83 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 73.21 110.928 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.14 -28.11 56.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 61.15 110.882 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.31 98.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 65.02 110.94 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -25.86 6.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 75.34 110.915 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.12 51.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 72.51 110.819 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.7 42.65 1.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 72.42 112.511 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -49.1 104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 73.45 111.07 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -100.33 127.43 46.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 72.54 110.843 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.77 -27.23 49.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 73.1 112.488 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.47 -54.2 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 71.52 110.865 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -50.56 -52.66 36.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.875 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt -50.99 -46.95 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.168 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -55.24 -52.1 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.878 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -51.22 -49.96 60.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.899 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mt -58.16 -47.59 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.914 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 m -57.75 -69.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 72.4 111.168 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 t -43.01 -45.11 4.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 70.15 111.163 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -58.16 -57.52 12.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.933 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.81 -56.86 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 73.43 111.105 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.39 -47.81 80.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 62.05 110.917 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -56.31 -24.81 45.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.845 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -132.89 85.11 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.854 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.4 mm -77.99 -1.38 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 64.22 111.108 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -90.41 21.57 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.918 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.414 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.4 pt -149.27 27.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.091 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -57.18 -35.69 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.892 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.4 t -58.65 -73.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.3 110.838 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.18 -46.63 23.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 75.5 110.921 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.7 mt -55.98 -72.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.05 111.127 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.8 mm -47.39 -45.05 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.11 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -59.19 -43.09 92.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 70.22 110.838 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.33 -65.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.915 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.8 pt -48.05 -46.38 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.3 111.132 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -56.68 -58.3 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 64.33 111.132 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.36 -47.8 75.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.831 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 3.0 t80 -54.2 -35.34 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.869 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 t -62.22 -75.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 72.22 110.848 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -26.52 59.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 73.01 110.878 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -40.99 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 75.34 110.89 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.636 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -94.32 170.16 8.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 64.45 110.903 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 59' ' ' ASP . 54.1 Cg_endo -69.73 -159.11 0.05 OUTLIER 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.694 2.263 . . . . 74.42 112.358 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -28.96 -53.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.883 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 59' ' ' ASP . 15.8 t -30.67 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.841 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.636 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.5 m80 -61.97 -47.16 86.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 75.01 110.904 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.485 ' HD3' ' HA ' ' A' ' 112' ' ' ALA . 11.4 mttp -34.2 -64.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 74.53 110.907 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.5 tp -57.91 -54.99 40.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.901 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.88 -59.14 7.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 74.51 112.475 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.8 p -48.75 -53.57 18.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 75.24 110.897 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.18 -54.68 4.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.488 . . . . 70.51 110.944 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -56.38 -48.85 76.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 72.32 110.917 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.2 mt -57.01 -56.44 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 74.3 111.152 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.0 mt -55.54 -37.01 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.53 111.084 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.22 -57.65 11.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.912 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 t -55.69 -54.15 47.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 63.11 110.835 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.1 mt -55.09 -46.58 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 74.24 111.126 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.29 -57.82 16.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 72.22 112.478 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -55.99 12.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.5 110.893 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.13 -54.89 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.01 111.115 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -51.26 -50.24 59.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.01 110.916 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp -51.27 -58.08 7.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 73.23 110.875 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -42.51 68.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.863 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -55.59 -71.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.884 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 t -54.48 -45.34 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.125 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -52.05 -37.66 54.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 70.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.21 -30.22 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 74.33 110.863 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -118.77 -76.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.23 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.8 t -168.85 158.45 8.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.818 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -117.14 -175.49 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 64.1 110.867 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.51 -175.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.877 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.0 t -172.64 160.72 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 62.51 110.848 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 t -174.87 35.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 73.55 110.818 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.4 t30 51.14 49.49 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 72.43 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -177.05 137.84 0.42 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.536 0.684 . . . . 74.41 110.916 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 160.83 48.26 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.677 2.251 . . . . 71.22 112.315 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.54 -31.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 73.23 112.488 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -166.07 -175.22 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.299 . . . . 73.42 111.199 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.19 -52.02 7.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 73.54 110.887 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.62 -66.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.33 111.127 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -52.65 -39.65 62.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.849 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.34 -58.01 9.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.149 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 68.3 mt -55.02 -45.08 76.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.25 111.163 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -55.82 -52.06 65.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.933 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.8 m -55.3 -51.96 65.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 72.32 111.114 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.2 mt -53.1 -56.68 14.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 73.44 110.914 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -57.83 -17.71 29.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 74.03 112.489 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.32 -14.4 43.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 73.42 110.851 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.3 m -117.36 -18.75 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.137 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.6 tp -51.99 -26.67 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.02 111.11 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.474 ' HA ' ' HB2' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -55.49 -72.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 75.1 110.918 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -56.16 -42.29 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.0 mt -55.11 -60.71 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 70.22 110.915 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 110' ' ' SER . 15.0 mt -53.79 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 54.41 110.899 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 109' ' ' LEU . 7.5 p -37.17 -63.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.906 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -49.39 -50.47 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 63.01 110.927 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.485 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -47.75 -56.91 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.51 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -49.08 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.158 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 154' ' ' LEU . . . -58.19 -66.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.091 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -45.84 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.877 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.489 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 73.3 p -60.59 163.11 5.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.842 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.432 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.5 OUTLIER -100.1 178.06 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 74.44 110.877 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.593 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 0.9 OUTLIER -39.05 -52.63 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.92 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.89 -72.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 62.25 110.866 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.489 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 16.0 m170 -45.44 -58.66 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.859 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.52 -39.37 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 74.21 110.922 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -60.9 -44.55 96.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.893 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -57.17 -48.34 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 24.1 mt -56.91 -49.38 79.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 65.42 111.176 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -52.22 53.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.869 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.9 tpp -55.68 -49.53 72.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.904 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 20.7 tp -51.32 -45.73 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.891 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.71 -49.01 74.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.948 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -51.08 62.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.818 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.8 mt -57.86 -44.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 73.34 111.141 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 17.6 m0 -51.22 -58.38 6.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.894 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.5 -47.25 76.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 74.54 110.908 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -55.27 -54.65 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.879 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.1 t -55.06 -75.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.899 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 139.86 39.5 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 64.22 112.474 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 29.9 tp -99.54 -76.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 75.33 110.922 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -98.83 23.77 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 71.2 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -74.86 69.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 63.2 110.909 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -98.18 -9.88 24.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.85 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.8 p 53.28 24.18 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 61.55 110.859 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -146.29 62.83 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 75.42 110.854 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.581 ' CD1' ' N ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -125.95 119.09 26.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 74.25 110.919 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.492 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 6.4 t30 -55.21 -25.2 31.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.901 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 106' ' ' GLN . . . -39.81 -94.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.32 111.078 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -21.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 73.14 111.143 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.492 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 3.3 ttt180 -39.09 -54.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.893 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 p -74.3 89.43 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 71.23 110.874 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -40.33 -38.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 73.12 110.943 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 4.0 m -39.18 -41.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.878 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -57.71 -87.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.847 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -43.5 -48.14 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 64.33 111.118 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 4.9 mtt -52.14 -50.46 61.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.891 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.22 -67.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.856 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 114' ' ' ALA . 0.7 OUTLIER -49.11 -31.55 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.906 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -49.56 100.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 65.23 110.836 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -66.66 -31.76 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 63.11 110.836 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -64.84 140.99 58.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.54 110.839 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -70.4 119.18 14.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 70.31 110.885 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -120.55 168.53 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 74.41 110.834 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -114.84 83.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.811 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 70.35 110.85 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.789 0.328 . . . . 72.02 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 1.8 t0 -176.66 33.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.833 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.49 165.01 30.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 74.04 110.911 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -51.44 113.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.897 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -118.27 160.57 21.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.866 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 80.62 77.23 0.99 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 72.13 112.541 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 2.5 t80 -80.47 122.98 27.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.902 0.382 . . . . 75.4 110.867 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -91.37 114.62 62.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 75.41 110.936 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -7.68 21.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 72.22 112.382 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -23.54 57.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.927 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 19.5 p -130.75 132.35 45.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 74.3 111.168 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 71.03 110.909 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.2 mmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.663 0.268 . . . . 74.41 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -101.05 27.08 6.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 74.31 110.862 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -166.24 140.63 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.873 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.9 133.14 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.876 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -121.38 -6.55 9.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.857 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -85.32 -95.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.863 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -56.82 -32.85 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.54 110.899 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -57.59 -55.04 40.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 72.42 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.7 -53.43 54.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 61.51 110.861 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -54.59 -69.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.25 110.891 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.38 -45.42 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.41 111.147 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.44 -50.62 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 m -56.69 -53.5 57.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 72.12 111.187 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 9.8 tp -55.7 -53.62 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.87 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.04 -59.92 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 73.45 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -30.78 54.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 72.3 110.841 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -64.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 72.52 110.893 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -55.86 -36.52 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.2 110.84 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.02 -24.55 39.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 72.35 110.875 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.4 mt -71.55 165.03 24.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 60.13 110.941 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 67.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.15 110.924 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 p 66.69 28.85 8.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 64.44 110.876 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.23 -44.55 7.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 70.23 112.51 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 mt 50.64 79.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 74.15 111.132 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.17 124.67 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.86 -36.89 51.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 75.41 112.513 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -51.34 57.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 74.05 110.826 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -52.25 -62.45 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 75.33 110.863 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.3 mt -47.46 -42.87 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 65.22 111.119 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -56.4 -54.19 48.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.926 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -48.48 64.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 72.31 110.913 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.9 mt -57.57 -52.11 66.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.946 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.3 m -57.91 -71.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 74.2 111.1 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.6 t -41.33 -44.29 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 74.54 111.173 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -58.68 -56.85 16.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.933 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.13 -56.64 8.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 73.34 111.091 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.54 -47.42 82.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 75.04 110.931 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -57.16 -23.89 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.849 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -133.92 85.07 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.846 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.5 mm -77.94 -2.84 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 73.32 111.134 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -88.82 23.49 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 62.51 110.867 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.408 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.6 pt -151.5 30.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.1 111.165 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -58.04 -37.18 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.869 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.3 t -58.14 -73.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.847 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.69 -47.13 20.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 75.21 110.878 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.7 mt -55.96 -72.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 74.35 111.139 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.4 mm -46.84 -47.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.43 111.124 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 m -57.01 -42.23 79.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.855 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 tp -58.33 -65.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.13 110.929 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.0 pt -49.16 -44.95 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 71.12 111.156 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.2 mt -55.71 -63.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 63.45 111.166 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.85 -48.4 75.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 72.13 110.883 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.437 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 1.5 t80 -51.24 -40.03 57.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.922 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.599 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 25.6 p -62.25 -77.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.907 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.561 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -41.61 -34.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 71.41 110.88 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.4 mt -58.36 -77.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.952 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.42 155.13 1.35 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 75.43 110.869 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -155.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.733 2.289 . . . . 71.41 112.353 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.441 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 5.8 p-10 -40.08 -47.07 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.888 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -44.11 -40.06 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 74.35 110.853 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.22 -47.23 84.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.845 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.523 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -45.01 -63.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.91 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.9 tp -61.3 -58.23 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.975 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.56 -70.93 0.71 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 73.13 112.484 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -39.06 -53.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 72.42 110.865 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mt -43.89 -53.66 5.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.865 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -58.07 -48.87 78.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.8 mt -56.15 -59.56 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 75.02 111.14 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.9 mt -56.08 -33.07 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 74.34 111.155 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -57.42 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 74.31 110.876 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -55.8 -57.0 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.888 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.0 mt -55.22 -45.57 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 74.02 111.132 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.61 -62.89 5.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 74.14 112.491 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 mtm105 -48.47 -54.32 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 75.32 110.882 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.78 -60.51 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 54.32 111.112 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -48.77 -49.23 39.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.866 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.9 tp -51.93 -61.87 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 75.14 110.923 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -41.47 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.903 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.95 -72.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 70.41 110.878 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 t -55.48 -42.83 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 64.53 111.153 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -51.82 -39.21 58.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -51.16 -30.39 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.872 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -112.27 -74.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 70.33 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.54 133.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.838 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -63.84 106.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 74.41 110.926 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -52.54 167.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.835 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.1 m -52.92 129.32 30.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.869 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.4 t -78.29 60.28 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.846 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -144.4 116.97 8.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 74.44 110.902 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? 63.37 160.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.528 0.68 . . . . 75.23 110.905 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 155.98 64.64 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 73.12 112.372 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.61 -43.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 70.2 112.504 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.24 -174.27 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 75.2 111.143 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 88.6 m -45.43 -35.32 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 70.33 110.906 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.47 -71.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 64.12 111.102 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.403 ' HA ' HD21 ' A' ' 99' ' ' ASN . 34.0 t-80 -53.26 -36.32 61.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.54 -54.87 41.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 64.45 111.086 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 74.1 mt -55.58 -58.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.136 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.403 HD21 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -55.37 -45.19 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 71.23 110.886 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.5 m -56.03 -58.95 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 71.35 111.138 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 35.7 mt -51.11 -55.52 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 75.1 110.935 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -57.47 -17.08 24.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 75.21 112.506 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.86 -14.31 48.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 75.1 110.892 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.9 -17.18 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 73.14 111.085 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.3 tp -53.29 -26.24 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 73.33 111.153 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -68.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.911 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -55.71 -44.03 77.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.7 mt -55.24 -69.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.934 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 110' ' ' SER . 1.2 mt -52.17 -63.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 75.41 110.946 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 109' ' ' LEU . 43.0 m -36.99 -71.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 65.35 110.889 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.06 -41.05 16.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 64.53 110.817 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -57.07 -60.95 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.071 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -55.52 -45.58 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 75.31 111.164 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.46 -69.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.0 111.126 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -50.55 63.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.883 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.487 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 96.1 p -48.27 145.74 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 70.14 110.829 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 121' ' ' LYS . 0.4 OUTLIER -98.05 -177.87 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 73.34 110.89 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 64.9 tt0 -35.82 -55.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.949 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.44 -72.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.848 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.487 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 18.8 m170 -45.46 -58.86 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 71.02 110.875 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.42 -38.21 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.922 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -61.46 -43.75 98.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.892 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -58.3 -45.09 88.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.89 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 40.3 mt -61.82 -46.32 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 75.02 111.144 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -55.34 -60.1 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.847 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.8 ptm -52.21 -42.34 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 71.01 110.846 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 39.5 tp -55.39 -46.58 76.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 74.12 110.97 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.441 ' CD1' HG21 ' A' ' 145' ' ' ILE . 0.1 OUTLIER -56.21 -49.45 74.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.895 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -51.93 -51.48 56.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.851 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.64 -41.67 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 72.4 111.117 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -55.35 -56.12 23.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.878 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.36 -52.71 43.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -56.9 -72.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 73.31 110.869 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.4 t -58.85 -80.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 74.12 110.867 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -154.89 145.37 12.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 72.4 112.465 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.605 ' O ' ' C ' ' A' ' 137' ' ' PHE . 2.7 tm? -160.66 134.36 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 75.42 110.923 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.605 ' C ' ' O ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -19.36 -68.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 64.32 110.883 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -102.63 155.43 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.911 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.5 77.26 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.9 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.0 p 48.11 58.34 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.841 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -149.75 22.1 0.9 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.976 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.76 93.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 70.42 110.922 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -39.3 -40.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.921 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -42.55 -90.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 65.34 111.088 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.441 HG21 ' CD1' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -63.79 -26.66 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.11 111.097 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -38.58 -51.96 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 74.53 110.88 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.5 t -57.06 98.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 42.32 110.829 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.55 -28.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 73.43 110.875 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 15.5 t -49.01 -35.2 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 64.22 110.865 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -56.77 -86.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.14 110.899 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.455 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -45.6 -47.2 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 74.02 111.085 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.413 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 63.7 mmm -52.36 -49.68 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.863 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.66 -68.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 72.31 110.889 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 151' ' ' ALA . 0.8 OUTLIER -48.49 -32.07 7.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.909 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.2 OUTLIER -47.71 -32.51 5.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 71.35 110.888 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -51.95 115.31 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.876 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -176.44 -175.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.856 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 -52.68 115.53 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.894 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -80.45 -175.66 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 74.11 110.839 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -152.46 -175.97 5.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.874 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 65.14 110.836 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 45.6 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.82 0.343 . . . . 74.23 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -134.79 30.52 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.852 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -94.26 54.55 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.856 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 26.1 tt0 59.06 76.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 75.4 110.883 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.42 179.1 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 74.42 110.858 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 92.07 34.37 7.23 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 73.3 112.459 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 45.6 t80 -55.57 119.91 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 74.31 110.904 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -96.61 137.16 21.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.73 . . . . 73.13 110.892 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -11.26 30.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.622 2.214 . . . . 72.02 112.357 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.35 -25.03 24.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.9 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 11.5 p -144.34 128.13 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 72.2 111.137 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.906 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.724 0.297 . . . . 73.33 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -139.18 152.74 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.871 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -79.9 -25.31 40.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.887 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.62 -13.78 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 72.02 110.899 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -138.08 70.41 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.876 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -98.63 -164.03 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.843 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -46.9 -29.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.865 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -49.93 -57.32 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.947 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.41 -51.65 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.52 110.893 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -56.03 -69.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.89 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.94 -45.24 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 75.11 111.134 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.29 -49.53 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 72.13 111.083 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.8 m -57.64 -53.79 54.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 64.44 111.134 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 11.2 tp -55.51 -54.18 47.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.933 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -49.58 -55.55 13.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.923 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -56.13 -31.54 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 72.31 110.821 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.52 -62.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.888 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -56.84 -36.19 69.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 73.35 110.901 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -56.44 -23.77 40.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 72.52 110.816 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.1 mt -74.12 167.77 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.926 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.24 65.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.14 110.918 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 67.97 34.26 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 75.3 110.864 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.18 -51.2 3.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 63.41 112.46 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.3 mt 56.88 80.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 74.13 111.116 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.13 125.73 31.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 65.13 110.895 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.35 -38.03 40.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 75.24 112.508 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -55.08 -47.6 74.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 75.53 110.893 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -52.83 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.874 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.1 mt -47.53 -43.62 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 53.25 111.135 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -56.05 -53.23 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.898 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.76 -47.57 64.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 75.03 110.907 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.87 -51.8 68.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.901 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 m -57.51 -70.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.154 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.2 t -42.68 -45.29 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 75.43 111.195 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -58.25 -54.46 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 65.13 110.931 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.17 -57.08 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 44.32 111.093 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mp -57.42 -46.64 83.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.915 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -55.59 -27.47 49.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 74.52 110.856 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -130.54 84.54 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.831 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.4 mm -79.5 2.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.132 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -92.97 17.3 10.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 73.54 110.856 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.0 pt -147.56 33.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 74.5 111.124 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -59.44 -34.14 72.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.871 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 33.1 t -59.73 -73.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.831 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.25 -47.61 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.914 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -56.56 -73.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.16 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.4 mm -45.78 -49.75 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.154 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -56.91 -41.74 78.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 72.1 110.848 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.6 tp -57.6 -66.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 74.3 110.891 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.6 pt -48.8 -44.7 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.54 111.14 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.445 ' O ' ' OG ' ' A' ' 54' ' ' SER . 74.3 mt -55.7 -63.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 73.4 111.161 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -49.88 74.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 73.4 110.84 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.42 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 3.6 t80 -48.73 -41.56 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.2 110.959 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 56.3 p -62.24 -76.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 60.12 110.838 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.519 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -41.91 -35.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 74.22 110.888 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.29 -77.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 75.2 110.916 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.4 m -47.41 150.14 1.72 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.635 0.731 . . . . 75.11 110.857 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -153.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.734 2.29 . . . . 75.32 112.315 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.86 -46.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.82 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.5 t -43.22 -42.61 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 61.42 110.831 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.527 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -58.06 -46.84 84.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 61.51 110.857 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.527 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 12.0 mtmt -42.41 -67.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.876 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.22 -59.72 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 73.03 110.953 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -49.71 -71.85 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.722 . . . . 74.24 112.449 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLY . 33.4 t -37.25 -61.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 71.35 110.871 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.42 -53.8 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.891 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -57.91 -47.69 82.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 75.02 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.8 mt -56.41 -54.19 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.51 111.134 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.1 mt -56.29 -38.49 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.42 111.157 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.51 -54.84 42.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 74.04 110.853 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.66 -64.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.843 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.3 mt -51.67 -44.65 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 75.01 111.134 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.47 -59.71 8.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 64.54 112.559 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -51.96 -53.8 37.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 74.4 110.842 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.09 -63.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 63.32 111.118 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -48.64 -44.16 37.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 71.23 110.929 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -54.24 -58.55 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 72.21 110.928 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -39.72 67.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 62.45 110.846 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -55.96 -73.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.916 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.41 -35.98 65.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 70.34 111.137 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.75 -48.0 73.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 72.31 110.88 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.0 t -54.73 -35.31 63.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.848 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -179.42 152.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 72.31 110.913 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 t 64.04 106.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.903 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -148.64 51.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 75.41 110.924 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.77 172.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.31 110.888 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 p -137.6 132.62 33.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 70.5 110.858 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 t -165.12 -178.48 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 72.31 110.885 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -88.35 -67.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 75.4 110.908 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -64.35 159.04 61.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.554 0.692 . . . . 74.53 110.95 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 169.57 18.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 73.12 112.312 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.52 -49.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 74.31 112.508 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.76 -175.21 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 70.55 111.104 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.3 p -40.59 -52.05 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 65.32 110.867 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.46 -68.0 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.34 111.043 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -50.44 -39.91 48.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 74.44 110.825 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.59 -52.17 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.11 111.141 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 39.6 mt -56.33 -58.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.4 111.153 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.52 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.857 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.6 m -56.62 -54.19 48.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 64.52 111.142 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 30.8 mt -55.16 -53.95 49.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.41 110.89 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.76 -14.98 24.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 73.01 112.468 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.91 -10.0 46.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 65.34 110.904 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.5 -19.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 73.03 111.148 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.6 tp -50.82 -31.42 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.24 111.147 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.29 -70.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.927 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.55 -37.71 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.835 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.64 -74.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 62.5 110.919 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -51.81 -60.29 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.939 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' LEU . 88.6 p -37.64 -63.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.836 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -52.47 -46.57 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 71.31 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.454 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.64 -60.85 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 55.55 111.051 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.2 mt -51.08 -47.34 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.15 111.112 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.45 -69.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 71.53 111.147 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -53.97 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 63.21 110.901 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.484 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 96.2 p -43.32 143.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.889 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.501 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -91.27 -174.94 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 64.21 110.88 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 20.0 tt0 -43.18 -54.03 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.932 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.51 -65.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 71.23 110.871 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.501 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 35.7 m170 -48.61 -61.08 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.873 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.522 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -47.96 -35.28 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 72.43 110.864 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -60.19 -54.63 43.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 64.15 110.891 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -51.22 -48.6 62.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 74.43 110.868 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.77 -51.12 71.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.122 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -49.37 -53.29 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 71.55 110.842 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.07 -46.2 75.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.835 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 19.4 tp -55.27 -46.77 76.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 75.11 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.6 mt -56.15 -49.29 74.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 75.54 110.878 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -52.49 -50.45 62.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 64.11 110.856 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 68.2 mt -57.28 -42.04 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 71.42 111.106 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -55.1 -56.36 20.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 71.24 110.903 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.27 -55.51 30.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.893 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -72.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 75.44 110.832 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.0 m -56.11 -76.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.884 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 147.22 129.62 1.97 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.791 -0.718 . . . . 75.3 112.49 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.25 -172.17 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 74.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -48.57 -32.84 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.858 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.42 109.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 72.52 110.934 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -50.11 -30.58 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.916 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.1 m -145.7 -50.21 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.869 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 10.8 p90 178.15 -176.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 73.31 110.918 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -141.8 127.5 19.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 75.21 110.921 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 9.1 t30 -56.43 -21.53 25.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.927 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -42.49 -94.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 75.22 111.052 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.422 ' H ' ' CD1' ' A' ' 145' ' ' ILE . 0.0 OUTLIER -67.07 -24.3 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.23 111.084 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.429 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 2.0 ttm180 -43.95 -52.67 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.864 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.5 t -55.51 100.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 52.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -28.86 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 74.13 110.944 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.5 m -49.73 -29.51 7.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 60.23 110.874 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.618 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 3.9 m-85 -57.89 -95.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.852 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 155' ' ' GLU . . . -39.58 -38.43 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.4 111.075 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.437 ' O ' ' HG2' ' A' ' 155' ' ' GLU . 22.7 mtp -60.87 -70.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -65.63 -53.66 38.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 72.31 110.857 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.618 ' HB3' ' O ' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -44.01 -30.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.0 110.896 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.52 ' HB3' ' O ' ' A' ' 151' ' ' ALA . 3.9 pt-20 -97.0 -31.93 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.905 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -68.37 -18.89 64.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 73.03 110.856 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 39.19 42.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 75.32 110.85 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -69.25 87.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.852 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -72.67 139.33 47.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 65.24 110.823 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -123.65 143.29 50.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.814 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 9.0 t60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 72.42 110.863 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.757 0.313 . . . . 74.42 110.898 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -78.02 136.57 37.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.819 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 63.36 163.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.871 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -62.1 118.32 7.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 70.14 110.857 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -121.6 137.64 54.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.871 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 124.92 56.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 71.31 112.497 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 81.3 t80 -54.12 129.01 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 74.23 110.887 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1008 ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' B' 1009 ' ' PRO . 15.8 t-20 -104.46 98.26 14.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 73.02 110.868 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1009 ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' B' 1008 ' ' ASN . 53.7 Cg_endo -69.82 -17.82 37.1 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 62.23 112.341 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.86 -31.83 68.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.885 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 16.2 p -147.12 127.14 13.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 71.33 111.111 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 3.1 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.87 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.718 0.294 . . . . 73.01 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -144.84 174.95 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.892 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -52.82 -43.48 66.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.949 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.25 145.92 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.9 t0 64.98 59.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 63.21 110.869 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.49 -164.15 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 65.51 110.839 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -46.45 -29.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.87 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -50.23 -56.81 9.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 72.24 110.965 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -53.21 -51.82 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 62.35 110.84 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -55.85 -69.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.884 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.88 -44.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 72.35 111.111 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.8 -49.35 68.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.35 111.079 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.3 m -57.39 -52.69 64.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 75.13 111.146 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tp -55.89 -56.65 18.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.923 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.61 -57.63 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.865 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 t -56.48 -29.89 62.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 62.15 110.855 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -62.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.85 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -56.18 -34.44 66.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.925 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -55.81 -22.03 22.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 74.41 110.844 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.1 mt -65.73 157.93 28.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 74.01 110.929 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 57.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.892 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t 70.25 38.98 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.92 -40.92 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 61.44 112.511 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.5 mt 51.17 74.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 72.32 111.149 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.4 m -90.26 126.54 35.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 70.23 110.857 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.04 -26.68 49.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 75.04 112.545 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -49.33 -57.81 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 73.04 110.847 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -49.37 -53.91 20.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.869 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.8 mt -50.91 -45.2 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 73.14 111.132 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -55.35 -54.55 42.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 75.45 110.878 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.97 -50.13 61.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 75.4 110.901 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -57.93 -52.06 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.915 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 m -57.02 -71.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.168 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.3 t -42.04 -43.72 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 75.44 111.156 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -58.07 -57.15 14.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.901 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.07 -51.16 44.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 63.44 111.076 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.18 -48.83 73.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 75.1 110.884 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -56.9 -30.61 64.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.841 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -128.74 86.14 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.885 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 mm -80.77 1.88 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 74.44 111.147 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -90.23 14.66 12.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 54.34 110.869 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.9 pt -139.95 31.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 74.44 111.155 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -58.58 -36.61 74.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.14 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -58.38 -73.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.1 110.878 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.13 -47.92 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 72.45 110.899 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.5 mt -55.95 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 71.32 111.152 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.8 mm -47.44 -49.57 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 73.02 111.086 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 m -57.05 -42.79 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.86 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.3 tp -57.54 -67.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.35 110.881 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 pt -46.94 -45.92 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 74.04 111.085 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.5 mt -55.79 -62.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.156 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -51.69 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.863 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -49.82 -38.34 34.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 73.33 110.901 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.623 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 4.6 p -63.58 -75.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 55.11 110.873 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.623 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -42.04 -35.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 75.33 110.829 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.17 -75.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.943 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.51 151.85 1.83 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 64.42 110.92 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.41 ' HB2' ' H ' ' A' ' 59' ' ' ASP . 54.0 Cg_endo -69.73 -153.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.713 2.275 . . . . 71.22 112.36 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' H ' ' HB2' ' A' ' 58' ' ' PRO . 14.6 t70 -39.4 -45.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 71.34 110.84 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -44.19 -41.84 6.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -59.07 -47.89 83.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 72.03 110.881 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.532 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 40.6 mttm -44.08 -69.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.904 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.33 -57.59 9.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.947 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -51.72 -75.54 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 70.0 112.5 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' GLY . 3.5 p -38.12 -48.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 62.1 110.867 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 mt -45.95 -55.44 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 73.53 110.933 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -57.61 -44.47 85.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.922 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.5 mt -56.83 -57.61 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 73.55 111.133 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.9 mt -55.73 -36.34 42.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 74.03 111.154 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.13 -54.41 47.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 74.4 110.853 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.8 m -55.38 -59.86 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.02 110.864 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.8 mt -54.45 -51.03 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 75.44 111.133 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.34 -54.0 34.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 60.31 112.489 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -58.82 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 72.52 110.843 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.33 -53.25 58.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 63.14 111.104 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -52.09 -49.93 62.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.894 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -60.67 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 74.41 110.919 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.1 -41.09 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.887 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -55.81 -72.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.896 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.7 t -54.68 -43.27 72.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 71.15 111.164 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.84 -37.06 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -51.81 -30.94 25.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 75.53 110.812 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -114.63 -75.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.12 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -171.98 140.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.883 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -94.68 85.52 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.892 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -101.77 131.47 48.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.916 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -174.95 130.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 73.35 110.865 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -117.04 -50.37 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 72.51 110.845 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -157.18 152.89 26.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 74.44 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp 64.6 153.89 0.12 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.602 0.715 . . . . 72.32 110.868 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 171.82 13.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.718 2.279 . . . . 73.41 112.313 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.86 -44.87 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 74.31 112.495 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.37 -173.72 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 72.24 111.114 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 80.1 m -45.2 -44.4 10.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.04 110.867 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.03 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 55.15 111.107 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -52.75 -34.97 55.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.37 -58.13 9.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 64.25 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 mt -56.37 -47.52 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.52 111.129 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -56.52 -54.2 48.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.923 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.3 m -53.47 -49.04 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.14 111.126 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.7 mt -53.32 -56.37 17.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 73.41 110.912 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.57 -15.14 24.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 75.34 112.519 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.41 -15.51 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 61.41 110.876 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 m -119.11 -21.92 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 75.24 111.117 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.6 tp -49.91 -30.25 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 72.32 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.403 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -45.29 -69.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.898 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.93 -39.91 72.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 63.52 110.928 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 43.7 mt -56.38 -71.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 71.35 110.923 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -55.42 -62.84 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 65.15 110.917 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 109' ' ' LEU . 97.0 p -34.58 -60.55 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.855 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -55.26 -52.79 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.11 110.877 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -48.41 -57.19 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 65.35 111.107 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 mt -54.78 -48.04 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.169 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.13 -68.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.078 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -52.74 44.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.919 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 97.0 p -47.0 144.32 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 75.45 110.842 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 118' ' ' GLN . 0.7 OUTLIER -99.24 -178.09 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 73.54 110.901 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.568 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 30.1 tt0 -34.77 -55.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 43.42 110.912 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.22 -73.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 26.3 m170 -45.7 -58.64 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.848 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.58 -38.06 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.873 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.25 -45.62 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.871 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -57.27 -48.66 78.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 73.53 110.934 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 58.7 mt -58.24 -51.61 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.34 111.113 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -49.37 -53.99 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.53 110.866 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.78 -48.35 72.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.869 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 12.5 tp -51.96 -47.0 64.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 72.5 110.94 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -57.2 -49.33 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.931 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -50.83 -54.39 24.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 63.23 110.888 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.1 mt -58.07 -40.63 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 71.45 111.132 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.442 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 31.0 m0 -51.16 -61.46 2.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.906 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -55.78 -47.68 76.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 71.23 110.889 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -55.72 -68.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.902 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.5 t -55.32 -77.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.833 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 174.5 104.13 0.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 71.54 112.498 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.0 tp -179.95 114.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.819 0.342 . . . . 72.13 110.925 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 50.77 28.82 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 75.52 110.895 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -170.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 71.24 110.96 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.11 24.51 10.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.32 110.904 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.81 44.4 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.84 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -93.6 -12.24 29.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.91 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 143' ' ' ASN . 1.8 mt -77.79 61.52 2.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 74.22 110.902 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 142' ' ' LEU . 6.9 m120 -37.73 -40.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.856 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . -41.14 -91.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 62.54 111.099 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.441 HG23 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -66.81 -23.3 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.134 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -39.65 -53.27 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.91 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.7 t -63.75 105.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.895 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -46.9 -28.13 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 71.5 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 94.9 m -47.86 -30.13 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 55.35 110.862 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.596 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 5.5 m-85 -57.61 -95.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.877 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 155' ' ' GLU . . . -40.15 -37.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 71.41 111.127 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 36.7 mtp -60.87 -70.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.85 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.13 -50.49 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 74.1 110.896 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.596 ' HB3' ' O ' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -47.15 -28.18 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 70.23 110.89 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.566 ' HB3' ' O ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -90.6 28.65 1.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.866 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -30.83 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 75.24 110.887 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -64.1 -176.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 75.11 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -64.15 159.56 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.1 110.911 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -163.09 135.86 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 74.35 110.87 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -100.83 -56.1 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 72.54 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 25.5 t60 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 73.41 110.868 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.797 0.332 . . . . 73.35 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -145.62 47.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -121.68 174.77 6.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 65.22 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -98.8 91.59 5.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.926 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -89.9 143.42 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 71.41 110.842 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 87.28 105.28 0.86 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 74.32 112.503 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.44 141.66 35.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.391 . . . . 63.41 110.874 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 15.0 p30 -127.42 151.61 75.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.644 0.735 . . . . 74.21 110.855 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -9.6 26.53 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 73.43 112.348 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -14.15 62.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 64.53 110.96 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 9.6 p -138.97 121.93 16.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 61.23 111.13 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.937 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.778 0.323 . . . . 74.14 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -110.58 -73.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 72.2 110.929 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -114.31 -22.69 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.927 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.11 -26.42 38.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 70.55 110.842 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -138.24 63.63 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.88 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -91.92 -164.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.21 110.896 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -48.34 -26.41 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.844 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -48.41 -58.45 4.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.955 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -52.64 -50.44 63.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 70.1 110.927 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -55.7 -70.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.43 110.871 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -47.63 -46.01 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 74.03 111.089 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.26 -47.23 69.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.061 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.7 m -58.0 -54.56 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 72.42 111.116 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -55.86 -51.46 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.949 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.09 -54.09 17.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.909 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 t -56.98 -32.18 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.12 110.874 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.93 -61.19 2.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -55.67 -32.51 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.895 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -55.31 -23.17 22.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.915 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 mt -54.65 176.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 75.23 110.873 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 22' ' ' SER . 0.9 OUTLIER -93.71 34.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.03 110.926 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 1.2 p 85.69 32.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.873 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.97 -123.79 4.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.69 -0.767 . . . . 64.33 112.478 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -169.18 141.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 74.13 111.133 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -119.63 110.44 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.43 110.876 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.61 -51.98 53.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 62.12 112.497 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.6 t -48.61 -43.61 36.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 63.35 110.859 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -54.64 -58.95 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 71.14 110.896 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.0 mt -50.03 -42.96 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 73.24 111.14 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -56.3 -57.64 11.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 71.3 110.95 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -50.08 -50.54 47.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.911 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 mt -56.05 -51.42 67.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.1 110.91 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 m -57.37 -71.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.41 111.166 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.3 t -43.8 -44.35 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 74.22 111.132 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -56.6 -57.63 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.919 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.77 -52.51 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 72.2 111.119 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.6 -50.91 71.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.95 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -56.68 -28.64 61.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 62.25 110.876 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -127.29 83.92 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.885 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 mm -79.8 0.4 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 75.41 111.106 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -92.17 21.88 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.895 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.4 pt -148.3 27.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 74.02 111.144 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -34.43 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 61.54 110.903 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -58.67 -72.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 64.14 110.885 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.3 -45.58 45.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.01 110.913 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 57.0 mt -57.07 -69.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 75.44 111.123 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.3 mm -49.33 -46.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 75.3 111.112 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 m -57.93 -43.48 86.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 75.31 110.872 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.6 tp -57.72 -66.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.505 . . . . 72.13 110.899 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.5 pt -45.46 -47.0 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 75.32 111.112 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.9 mt -55.51 -56.64 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 75.52 111.182 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.33 -46.84 79.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 65.32 110.851 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.493 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 2.6 t80 -53.53 -35.81 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.55 110.938 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 t -62.01 -74.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 74.24 110.883 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -24.61 58.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 73.52 110.864 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -42.96 -80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.911 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.673 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -88.97 170.59 10.65 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.716 . . . . 75.44 110.887 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.505 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.84 -159.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 75.34 112.28 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -30.46 -51.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.835 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 59' ' ' ASP . 58.5 m -32.62 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.848 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.673 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.5 m80 -59.61 -47.83 84.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 73.13 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.52 ' HD2' ' HA ' ' A' ' 112' ' ' ALA . 2.3 mtmp? -31.8 -68.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.894 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.53 -51.78 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 72.5 110.925 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.45 -59.76 7.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 72.01 112.494 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -54.66 14.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 75.03 110.844 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt -43.33 -51.93 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.903 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -57.12 -50.11 73.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 73.03 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.6 mt -57.24 -54.59 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 74.12 111.139 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.5 mt -55.81 -36.66 44.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 72.14 111.096 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -54.89 41.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.892 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -56.82 -59.44 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 72.51 110.877 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.9 mt -53.62 -47.36 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 71.11 111.156 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.65 -56.81 18.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 71.51 112.457 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.2 -56.88 9.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 73.11 110.897 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.96 -50.87 67.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.094 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -55.41 -47.1 76.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.5 110.893 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.6 tp -53.44 -52.95 57.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 71.14 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -43.38 77.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.839 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -56.05 -71.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.869 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.99 -35.84 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 51.33 111.163 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -49.8 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.23 110.871 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -24.13 29.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 73.51 110.825 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -119.1 -165.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 71.44 110.847 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -87.48 105.02 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.872 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -59.12 -40.06 84.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 72.11 110.875 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.1 m -52.02 139.8 21.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 63.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.3 t -163.32 -75.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.875 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.0 p -177.51 -175.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 51.25 110.832 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.84 177.04 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 74.51 110.828 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? 62.82 161.07 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.609 0.719 . . . . 75.51 110.863 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 162.61 41.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.667 2.245 . . . . 73.54 112.337 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.38 -42.2 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 73.02 112.461 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.76 -175.49 5.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.328 . . . . 74.41 111.157 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 p -45.31 -50.91 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 72.24 110.899 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.54 -66.77 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.135 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -52.24 -37.45 55.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.853 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.02 -58.69 6.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 63.14 111.104 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 82.9 mt -53.39 -44.08 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 75.21 111.109 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -55.27 -50.81 68.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.893 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.0 m -56.24 -54.05 49.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.31 111.141 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.7 mt -51.13 -57.08 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.15 110.926 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.58 -15.52 25.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 64.44 112.467 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.68 -10.9 38.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 74.13 110.903 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.8 m -121.27 -15.51 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 75.2 111.168 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.4 tp -50.26 -29.79 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.43 111.116 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.45 110.917 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -56.44 -39.75 73.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 63.42 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.2 mt -56.83 -71.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 74.14 110.924 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 113' ' ' ILE . 0.4 OUTLIER -51.66 -64.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.938 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 109' ' ' LEU . 96.2 p -38.05 -62.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 70.43 110.851 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.45 -43.31 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 73.03 110.909 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.52 ' HA ' ' HD2' ' A' ' 62' ' ' LYS . . . -57.09 -60.04 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 70.34 111.073 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -56.27 -40.09 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.4 111.162 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.66 -70.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.02 111.123 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.416 ' HB3' ' CE ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -54.31 -47.93 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 75.34 110.923 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.46 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 89.6 p -49.08 141.04 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 54.35 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 121' ' ' LYS . 3.1 p30 -90.36 -173.86 3.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.917 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.605 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 4.7 mt-30 -43.49 -52.74 5.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.931 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.53 -67.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.46 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 12.0 m170 -47.88 -59.31 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.816 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.605 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.41 -39.15 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.907 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.47 -44.52 96.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.907 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -58.35 -50.18 74.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 72.44 110.851 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.0 mt -56.83 -49.19 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 73.11 111.109 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -54.22 27.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.909 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.47 -49.33 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.855 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 50.2 tp -52.28 -46.87 66.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.868 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.404 HD11 ' CG1' ' A' ' 145' ' ' ILE . 1.1 tt -56.25 -48.65 76.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.956 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -52.91 -49.28 66.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.866 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.06 -42.14 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.121 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -54.17 -58.37 7.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 73.4 110.919 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.75 -53.03 61.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 70.34 110.855 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -55.24 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 75.15 110.879 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.4 t -55.37 -75.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 75.3 110.898 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 151.76 121.98 0.97 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.736 -0.745 . . . . 61.51 112.514 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.4 tp -165.02 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 71.51 110.938 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -105.93 178.11 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.834 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -51.08 126.24 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 71.41 110.928 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -64.89 87.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.892 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 73.4 m 53.24 26.27 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.896 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.49 23.02 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 75.32 110.916 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -126.64 125.92 42.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 74.32 110.91 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.437 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 8.9 m120 -55.92 -21.51 20.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.888 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -42.01 -96.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.33 111.087 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.404 ' CG1' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -66.89 -21.52 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.43 111.065 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.437 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 2.3 ttt180 -45.1 -51.54 10.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.835 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 81.8 p -60.67 98.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.886 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -46.54 -34.03 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 75.55 110.884 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.1 p -45.69 -30.91 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 75.42 110.881 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -55.5 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 72.42 110.849 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.449 ' HA ' HD13 ' A' ' 154' ' ' LEU . . . -48.12 -47.03 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 75.41 111.102 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 0.4 OUTLIER -51.08 -52.38 44.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.91 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -62.58 -66.97 0.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 74.34 110.877 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 151' ' ' ALA . 1.3 pp -49.78 -29.45 7.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.917 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.3 OUTLIER -57.33 -174.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.902 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -157.85 176.48 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.854 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -52.11 108.33 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 75.55 110.835 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.04 172.85 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.862 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -129.47 153.48 47.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.835 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -137.97 157.98 45.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.84 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.51 110.903 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.8 0.333 . . . . 72.34 110.868 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.35 99.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 71.3 110.902 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 12.1 t70 -171.45 149.58 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.891 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.52 111.54 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.88 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -130.64 -178.73 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.875 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 105.26 124.29 5.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 71.25 112.531 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 46.8 t80 -155.88 118.89 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.91 0.386 . . . . 74.13 110.941 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -102.53 136.94 19.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 74.21 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.44 25.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.672 2.248 . . . . 74.24 112.342 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -9.39 58.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 75.03 110.886 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 8.5 p -129.17 131.22 47.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 70.34 111.141 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.51 110.941 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.698 0.285 . . . . 71.42 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -140.46 38.24 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 70.14 110.919 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -127.16 -37.94 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.944 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -68.03 -24.13 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 65.51 110.88 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -112.96 29.88 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 71.23 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.48 -164.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.846 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -49.61 -27.07 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.859 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -50.1 -56.58 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.906 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.13 -50.27 67.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.894 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -55.49 -69.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 64.4 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -49.66 -44.33 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 62.42 111.151 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.92 -50.12 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.23 111.12 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.7 m -57.15 -52.79 63.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.137 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 12.5 tp -56.6 -54.31 47.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 73.54 110.899 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.61 -60.72 2.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 74.02 110.892 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.2 t -55.25 -30.72 60.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.885 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 64.5 110.88 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -55.51 -36.13 66.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 73.01 110.93 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.52 -27.45 57.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.862 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.4 mt -63.5 143.46 57.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 70.01 110.911 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 61.26 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.914 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.67 46.25 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 73.2 110.888 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.22 -48.57 2.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 71.23 112.477 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.7 mt 58.14 77.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 74.32 111.157 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.17 127.87 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.877 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.56 -36.39 64.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 70.21 112.496 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.82 -52.41 41.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 65.34 110.841 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -51.4 -60.23 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.931 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 65.0 mt -48.28 -44.5 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 63.3 111.14 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -55.07 37.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.889 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -50.51 -48.69 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.12 110.919 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.99 -51.84 67.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 74.21 110.91 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.7 m -57.81 -71.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.161 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.3 t -41.5 -45.03 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 74.53 111.181 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -56.69 -57.16 13.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.946 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.3 -51.47 44.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 73.54 111.127 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.21 -49.58 75.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.911 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -57.1 -26.73 60.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 64.44 110.84 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -129.99 85.06 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.808 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.4 mm -80.27 -1.01 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 72.1 111.172 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -90.96 21.94 3.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.861 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.9 pt -147.26 31.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.23 111.143 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -35.55 71.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.892 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -58.68 -72.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 74.3 110.878 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.99 -47.56 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 75.41 110.903 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.3 mt -55.83 -69.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.1 111.104 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -47.98 -48.96 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 73.41 111.141 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.4 m -56.69 -42.47 79.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.873 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 tp -58.27 -66.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.922 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.6 pt -47.14 -44.31 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 75.5 111.084 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.43 ' O ' ' OG ' ' A' ' 54' ' ' SER . 44.7 mt -55.69 -59.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 72.03 111.082 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -58.55 -49.11 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.86 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.414 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -50.66 -41.86 55.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 71.14 110.934 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 60.6 p -62.53 -73.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 74.22 110.901 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.478 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -43.25 -33.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 74.15 110.887 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 52' ' ' ASP . 35.1 mt -61.17 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 65.25 110.956 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.571 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -50.09 141.72 14.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.627 0.727 . . . . 73.24 110.896 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -100.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 72.22 112.337 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 3.1 p-10 -69.84 -54.16 14.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 71.53 110.919 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -38.34 -49.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 65.24 110.9 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.571 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -55.58 -53.55 55.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.45 110.807 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.554 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 9.1 mtmm -35.88 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.874 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.0 tp -63.81 -58.34 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.962 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.7 -77.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 74.32 112.533 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' GLY . 0.7 OUTLIER -36.86 -51.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 75.13 110.84 -179.771 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.8 mt -45.84 -57.33 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.908 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -57.04 -42.21 80.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.99 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -55.93 -57.27 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 74.14 111.101 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.35 -34.56 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.11 111.116 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -57.64 11.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.893 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -56.72 -62.13 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 75.23 110.864 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.5 mt -51.94 -46.54 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 73.15 111.157 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.5 -57.41 13.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 75.11 112.447 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.78 -57.36 9.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 72.12 110.837 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.98 -57.41 11.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 70.42 111.093 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -50.33 -49.79 52.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.92 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -59.97 3.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 75.21 110.925 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -41.93 63.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 72.03 110.871 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -56.69 -75.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 71.13 110.852 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.2 t -51.55 -35.12 39.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 73.03 111.177 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -55.19 -52.17 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.876 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -55.89 -35.59 66.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.86 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.65 159.58 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.873 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m 64.36 96.35 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.872 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -154.66 145.33 22.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 70.4 110.875 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.46 174.75 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 70.45 110.897 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -130.33 30.75 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 70.22 110.882 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.2 p -61.86 -171.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 74.53 110.898 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -93.45 156.6 16.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 52.21 110.864 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.3 160.93 0.12 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 74.41 110.888 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.55 9.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 70.42 112.35 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.81 -46.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 64.42 112.487 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -158.96 -173.86 4.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 71.04 111.089 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 68.9 m -45.66 -40.68 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -43.27 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.51 111.089 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -52.83 -35.36 57.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 72.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.16 -57.99 9.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 74.32 111.104 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.4 mt -56.29 -47.34 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.3 111.156 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -56.58 -55.43 33.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 64.03 110.899 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.1 m -51.39 -53.28 38.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 70.02 111.156 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.3 mt -51.01 -56.55 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.905 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.71 -15.56 26.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.69 -0.767 . . . . 72.44 112.49 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.78 -12.29 48.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 73.44 110.849 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 m -122.13 -18.94 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.54 111.146 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.0 tp -49.95 -29.73 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.25 111.132 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.909 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -56.02 -38.9 71.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.894 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.9 mt -56.24 -71.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 73.04 110.933 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -51.95 -63.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 75.23 110.91 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 109' ' ' LEU . 83.8 p -36.61 -62.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 75.4 110.835 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.96 -49.46 50.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.524 ' HA ' ' HD2' ' A' ' 62' ' ' LYS . . . -55.63 -55.83 27.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 55.4 111.129 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.5 mt -55.6 -44.09 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 74.23 111.167 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.33 -68.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 52.21 111.092 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -55.71 -50.58 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 75.2 110.874 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.526 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 82.6 p -45.85 139.4 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.834 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -89.58 -168.68 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.877 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 8.1 tp-100 -46.98 -54.45 10.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.93 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.77 -64.25 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 70.24 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.526 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 26.7 m170 -48.92 -60.1 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.849 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -49.03 -34.63 13.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.43 110.915 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -53.76 54.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 73.15 110.874 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -53.59 -43.5 68.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.886 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 28.4 mt -61.68 -45.1 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.05 111.164 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -55.5 -59.11 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.87 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 22.3 ptm -52.98 -45.18 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 75.53 110.889 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 18.0 tp -54.35 -47.55 72.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.918 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.448 HD11 HG23 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.75 -49.29 75.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.882 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -50.21 -51.89 40.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 53.0 110.867 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 53.4 mt -57.01 -42.21 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.11 111.136 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -54.74 -55.42 30.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.25 110.941 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -54.86 -49.03 72.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.887 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -54.67 -70.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.55 110.872 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 43.7 t -57.07 -71.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.846 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 116.8 103.41 2.31 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 73.23 112.508 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.23 13.86 1.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.869 0.366 . . . . 74.41 110.92 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -135.94 -76.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 72.43 110.83 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -133.47 148.32 51.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.887 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -70.25 -10.12 57.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 75.35 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 34.7 m -113.32 -79.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.815 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 176.25 -171.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.924 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -137.18 125.3 22.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.909 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 144' ' ' ALA . 10.5 t-20 -54.29 -22.95 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.02 110.937 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -41.31 -95.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.1 111.106 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.448 HG23 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.74 -23.22 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.03 111.091 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.415 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 1.9 ttt180 -43.0 -51.6 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 75.21 110.872 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 t -54.09 100.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.45 110.849 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -45.86 -29.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.11 110.905 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 88.7 m -46.77 -33.18 4.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -54.69 -85.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 73.25 110.887 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.445 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -48.11 -55.88 9.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 75.04 111.117 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 153' ' ' ASP . 3.2 ptm -43.41 -44.57 5.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.32 110.851 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.428 ' N ' ' CG ' ' A' ' 152' ' ' MET . 12.0 t70 -71.1 -70.91 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.841 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 151' ' ' ALA . 0.9 OUTLIER -47.15 -31.68 3.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.906 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 151' ' ' ALA . 4.3 pt-20 -83.04 -31.79 27.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 73.43 110.854 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.6 109.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.54 110.847 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -147.2 -168.25 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 73.15 110.806 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -50.31 144.86 6.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.842 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -51.52 161.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.34 110.83 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -141.84 -169.55 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 64.3 110.863 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.901 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 73.41 110.861 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -99.64 -177.4 3.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.893 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 7.2 m-20 62.51 176.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 72.34 110.907 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -84.37 84.01 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 72.12 110.88 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.22 82.22 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 71.23 110.888 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 170.04 36.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 64.34 112.444 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.73 116.93 2.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 75.21 110.914 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -97.6 137.31 21.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 64.54 110.857 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -23.24 31.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 75.45 112.347 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -16.86 61.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.906 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 19.1 p -137.19 116.3 12.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 75.34 111.193 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.891 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.76 0.314 . . . . 72.3 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -124.45 177.31 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.924 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -61.84 -18.0 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -58.46 -21.73 52.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.881 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -140.18 71.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.842 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.14 -163.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.829 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -48.01 -26.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 71.54 110.857 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -50.59 -57.47 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.96 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -52.96 -51.99 59.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 70.41 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -55.25 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 73.52 110.907 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.84 -44.51 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 74.3 111.139 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.52 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 53.25 111.074 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.0 m -57.24 -53.84 53.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 73.21 111.141 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.7 tp -55.7 -53.63 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.903 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.07 -56.58 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 t -55.97 -30.95 62.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 72.22 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.59 -61.92 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 72.3 110.863 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -56.52 -36.59 69.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 74.32 110.916 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -56.38 -24.58 45.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 73.3 110.842 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.0 mt -69.23 141.26 54.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.914 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.75 62.27 1.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.883 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 65.02 50.63 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.879 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.68 -52.58 1.03 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 61.42 112.435 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mt 59.42 81.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 72.43 111.133 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.68 131.92 36.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 73.43 110.836 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.82 -34.39 61.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 61.11 112.447 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -54.11 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 71.13 110.856 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -50.15 -57.91 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.884 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 69.2 mt -49.81 -42.96 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.15 111.163 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -56.26 -56.47 20.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 75.45 110.886 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -49.99 -48.37 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 64.54 110.946 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.69 -51.26 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.903 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.2 m -57.78 -71.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 61.5 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 t -42.53 -45.78 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.45 111.155 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.23 -54.9 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.924 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.58 -57.67 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 75.31 111.081 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.14 -48.31 79.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 72.45 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -56.27 -27.15 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 71.02 110.909 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -129.5 84.1 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.886 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.3 mm -78.68 -0.71 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 75.32 111.134 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -90.62 19.72 5.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 75.32 110.897 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.409 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.7 pt -147.36 28.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 75.22 111.113 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -57.54 -36.29 71.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 65.1 110.867 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.1 t -58.51 -73.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.866 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.96 -46.52 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.833 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.4 mt -56.33 -71.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 74.21 111.153 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.3 mm -47.53 -47.38 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 75.05 111.097 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 m -57.82 -42.82 85.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.872 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.68 -67.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 75.05 110.96 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 pt -45.12 -46.23 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 74.45 111.114 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.0 mt -57.01 -57.14 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.25 111.149 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -47.86 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 63.43 110.892 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -54.93 -35.34 64.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.94 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.4 t -63.6 -74.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 60.41 110.84 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -25.78 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.859 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mt -42.72 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.874 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.672 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -93.31 170.24 8.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.716 . . . . 63.4 110.86 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.6 Cg_endo -69.7 -158.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 75.41 112.342 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -30.86 -52.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.87 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 59' ' ' ASP . 64.2 m -32.53 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 75.41 110.831 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.672 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.9 m80 -61.58 -37.81 85.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 75.01 110.832 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -46.02 -60.28 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.878 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.89 -58.95 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.02 110.926 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.17 -60.7 5.96 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 65.42 112.483 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.7 p -48.08 -48.17 33.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 64.45 110.832 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -48.04 -53.19 17.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.955 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -55.4 -47.11 76.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.33 110.895 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.21 -50.25 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 75.5 111.182 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.2 mt -57.46 -39.0 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.155 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.91 -55.22 35.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.871 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.1 p -55.75 -57.46 11.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 52.51 110.895 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.7 mt -55.2 -43.78 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 72.03 111.109 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.08 -58.24 14.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 73.43 112.525 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mtm105 -51.61 -55.59 18.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 74.25 110.868 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.36 -58.06 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 64.45 111.072 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -51.19 -45.81 61.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.899 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 tp -52.08 -56.29 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 71.55 110.967 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -43.96 73.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 65.43 110.836 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -55.46 -73.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.59 -35.99 55.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 71.31 111.133 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -52.75 -51.3 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 71.23 110.913 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.6 m -55.38 -24.75 31.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.03 110.889 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -115.81 -166.04 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.9 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -87.65 100.07 12.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.865 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -55.68 100.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 75.55 110.915 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -73.96 85.91 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 72.2 110.821 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.2 t -100.37 122.29 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.823 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -154.74 -74.41 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 75.44 110.88 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -175.05 151.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 71.12 110.893 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 63.27 160.58 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 73.51 110.904 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 167.52 24.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 74.0 112.336 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.09 -36.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 63.41 112.462 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -170.93 -174.01 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 72.04 111.146 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -42.34 -51.84 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 71.02 110.873 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -51.43 -61.48 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 71.11 111.109 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -53.66 -42.92 68.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.02 110.849 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.12 -59.12 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.142 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 76.4 mt -55.11 -46.28 77.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.04 111.116 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -55.3 -52.14 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 62.4 110.887 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.5 m -55.19 -53.33 57.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.161 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.5 mt -52.57 -55.99 18.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.915 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.49 -15.68 25.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 73.11 112.507 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.82 -9.36 49.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 63.41 110.909 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.4 m -124.12 -16.5 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.25 111.104 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.2 tp -50.09 -29.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 75.21 111.142 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -71.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.938 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -55.61 -39.03 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 73.44 110.94 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.77 -64.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.909 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.423 ' O ' HG13 ' A' ' 113' ' ' ILE . 0.4 OUTLIER -53.84 -69.86 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.925 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.3 p -36.55 -59.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -52.49 -50.71 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 71.44 110.885 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.37 -55.59 29.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.142 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.46 HD13 ' CD1' ' A' ' 150' ' ' PHE . 7.4 mt -54.53 -49.72 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 70.13 111.098 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.53 -67.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 74.33 111.115 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.59 -45.56 48.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 72.05 110.881 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.416 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 5.4 m -55.83 154.19 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 63.14 110.868 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -96.41 -171.39 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.898 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.624 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 4.5 tp-100 -46.91 -51.98 15.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.899 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.53 -67.42 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 116' ' ' SER . 11.9 m170 -47.81 -59.6 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.876 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.96 -38.32 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 74.5 110.859 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -60.99 -44.98 96.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.903 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -57.79 -49.2 77.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.33 110.893 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.34 -50.02 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 73.32 111.172 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -49.57 -52.16 32.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 75.51 110.869 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.94 -51.83 66.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 72.5 110.901 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 29.3 tp -52.47 -42.77 64.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.921 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.55 -48.96 76.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.902 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -53.99 -53.06 58.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 71.54 110.844 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.8 mt -55.5 -42.56 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.03 111.155 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 30.1 m0 -55.97 -54.06 49.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 72.41 110.918 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.48 -51.99 60.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -55.96 -71.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.1 t -57.78 -77.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 61.24 110.867 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 113.12 96.69 2.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 63.24 112.45 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -119.27 -22.7 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 63.45 110.881 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -122.18 -74.62 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 62.31 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -103.04 112.03 24.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 75.11 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -55.16 -25.58 33.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 75.22 110.92 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.7 m -113.12 -77.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 75.22 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 173.04 172.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 75.12 110.884 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.44 156.63 48.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 74.12 110.924 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.464 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 3.1 p-10 -55.77 -25.72 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 74.53 110.873 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -38.08 -96.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 63.22 111.136 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -69.32 -20.84 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.21 111.132 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.464 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 2.8 ttt180 -40.61 -51.71 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.879 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 t -65.2 90.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.833 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -42.04 -27.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.889 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 5.3 t -46.07 -28.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.857 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.712 ' CG ' ' N ' ' A' ' 151' ' ' ALA . 10.0 p90 -55.63 -60.87 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 70.22 110.913 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.712 ' N ' ' CG ' ' A' ' 150' ' ' PHE . . . -67.87 -51.21 50.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 72.11 111.104 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.406 ' HA ' ' HG2' ' A' ' 155' ' ' GLU . 9.8 mmt -45.79 -39.63 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 72.12 110.853 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -71.93 -69.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.926 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 150' ' ' PHE . 1.1 pp -50.89 -31.68 18.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 52.42 110.925 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.406 ' HG2' ' HA ' ' A' ' 152' ' ' MET . 13.1 pt-20 -80.85 -179.46 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.889 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -111.51 179.08 4.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.82 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -51.17 148.09 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 71.15 110.848 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -119.54 175.3 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.848 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -85.28 -174.39 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 71.05 110.814 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -88.43 157.22 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.25 110.862 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 58.2 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.847 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.751 0.31 . . . . 73.44 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 18.0 t0 -76.56 -63.16 1.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 61.44 110.856 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 18.9 p30 -55.5 158.25 3.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 63.3 110.827 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 125.19 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 70.22 110.873 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -117.87 -179.38 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 71.43 110.844 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 71.92 92.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 53.54 112.498 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 24.3 t80 -83.32 111.46 19.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 72.51 110.9 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -89.52 110.37 38.55 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.671 0.748 . . . . 73.25 110.917 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -21.55 33.4 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.706 2.271 . . . . 72.44 112.337 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -16.71 64.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.946 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 8.9 p -144.56 176.71 9.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.4 111.126 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.933 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptt? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.759 0.314 . . . . 65.11 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -174.75 -174.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 50.11 110.91 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -51.99 139.82 21.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 71.31 110.902 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.23 177.37 1.46 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.861 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -116.45 28.99 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 73.54 110.846 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.874 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.53 -28.29 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.865 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -49.78 -56.86 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 62.35 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.17 -50.34 64.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 70.32 110.886 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -56.09 -70.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.834 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.78 -45.28 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.31 111.134 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.39 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 71.13 111.111 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.7 m -57.86 -52.86 63.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 74.25 111.145 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 11.4 tp -56.14 -55.96 26.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.972 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.67 -60.79 2.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 t -55.04 -30.31 59.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.867 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.467 ' O ' ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -54.28 -67.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.915 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -55.32 -35.07 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.871 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.0 -14.57 9.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.902 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -74.27 174.0 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.23 110.927 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.07 -17.77 9.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.904 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 m -70.5 -25.7 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 73.54 110.87 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' H ' ' HG ' ' A' ' 20' ' ' LEU . . . 87.96 -15.95 53.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 64.52 112.527 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.2 mm -148.98 146.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 74.01 111.068 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.37 107.75 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 72.33 110.872 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.02 -51.7 52.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 71.13 112.532 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.66 -52.47 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 74.53 110.833 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -53.34 -59.12 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 74.14 110.871 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.3 mt -49.13 -43.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 72.1 111.132 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.45 -57.79 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 74.05 110.927 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -50.59 -48.42 57.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 75.43 110.89 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.04 -52.6 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.924 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 m -57.05 -70.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 74.43 111.148 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.3 t -43.21 -44.28 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.3 111.102 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -58.07 -56.42 22.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 74.44 110.888 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.09 -57.98 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 74.34 111.072 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mp -57.69 -46.9 83.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 72.15 110.959 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.46 -28.66 60.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 62.34 110.878 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -129.35 83.91 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.879 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.6 mm -77.04 -3.04 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 72.32 111.14 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -89.09 23.85 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 71.23 110.887 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 1.5 pt -152.8 29.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.45 111.151 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.79 -35.49 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 75.15 110.896 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -58.73 -73.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.31 110.84 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.73 -46.17 29.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.926 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.18 -70.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.52 111.156 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.5 mm -47.3 -48.16 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.21 111.117 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -57.35 -42.63 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.87 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.5 tp -57.91 -67.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.5 110.939 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.2 pt -46.5 -45.09 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.53 111.107 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.9 mt -56.14 -59.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 75.24 111.181 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -57.13 -50.4 72.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 71.4 110.899 179.827 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.444 ' CD2' ' HG ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -51.42 -36.78 45.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.32 110.913 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.582 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 9.0 p -63.83 -73.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 71.44 110.852 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.582 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.6 ptt85 -43.56 -33.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.877 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.66 -82.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.912 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.6 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 58.3 m -50.76 141.15 18.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 72.43 110.885 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -100.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.757 2.304 . . . . 73.54 112.32 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 3.3 p-10 -68.56 -51.58 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 75.15 110.85 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 t -40.01 -48.95 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.876 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.6 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.93 -48.94 79.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.11 110.822 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 112' ' ' ALA . 7.6 mtmp? -39.01 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.31 110.909 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.8 tp -64.82 -50.16 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.88 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -54.61 -77.15 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.773 -0.727 . . . . 75.35 112.494 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.8 p -38.98 -52.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 71.31 110.836 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 mt -46.97 -53.01 13.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.924 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -57.17 -45.85 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.968 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.39 -55.19 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 74.01 111.108 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.5 mt -56.55 -36.64 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.131 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.0 -56.5 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.835 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -55.98 -62.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.35 110.836 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.3 mt -52.57 -45.82 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 71.34 111.155 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.91 -60.31 8.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 73.33 112.487 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.68 -54.84 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 72.5 110.891 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.48 -61.81 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 64.34 111.109 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -49.56 -43.58 46.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.34 110.902 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.62 -59.62 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.922 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -40.35 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.05 110.918 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.03 -73.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.912 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -37.93 67.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 74.32 111.183 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -55.5 -40.89 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 71.23 110.884 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -50.53 -60.19 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 65.24 110.898 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -90.02 -76.23 0.43 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.871 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.9 t -172.83 177.67 2.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.856 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -126.72 127.0 44.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 74.53 110.906 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -114.86 173.41 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 71.41 110.87 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 t -177.07 152.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.85 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.4 m -159.65 55.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 75.45 110.84 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 m120 53.86 27.31 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 72.12 110.917 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -165.91 160.62 13.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.703 . . . . 62.42 110.925 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 171.27 14.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 74.51 112.338 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.33 -46.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 34.32 112.472 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.05 -176.1 5.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.43 111.095 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 p -45.05 -44.9 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 53.02 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.29 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.088 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -51.43 -35.11 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 64.52 110.884 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.05 -58.55 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 62.32 111.094 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.5 mt -55.99 -46.06 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 73.14 111.127 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -56.28 -51.12 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 65.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.4 m -55.19 -52.05 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.145 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.8 mt -52.25 -56.26 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 53.14 110.954 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.46 -16.11 27.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 75.1 112.444 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.61 -12.85 47.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 63.01 110.901 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.0 m -120.94 -17.89 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.54 111.126 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.0 tp -48.88 -30.07 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.169 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -71.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 72.22 110.935 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.61 -39.59 70.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.901 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 41.7 mt -55.63 -72.27 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.915 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -51.22 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.922 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.3 p -37.27 -62.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.87 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -48.87 -49.42 39.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 71.4 110.849 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.477 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -56.07 -58.25 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.108 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 mt -52.41 -48.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 70.53 111.137 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.06 -69.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.24 111.107 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -23.97 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.903 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 3.5 m -74.54 147.6 41.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.886 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.483 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -97.38 -171.81 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.87 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.6 pp0? -45.01 -52.65 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.956 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -62.92 -63.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.88 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.483 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 43.4 m170 -49.32 -61.23 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -48.11 -34.82 10.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.891 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -56.49 20.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.875 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -52.27 -48.96 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 73.33 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 52.0 mt -55.91 -50.75 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.126 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -50.02 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.855 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 tpp -55.8 -52.29 64.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.51 110.904 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 25.9 tp -50.57 -46.11 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.917 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.453 HD11 HG22 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.3 -49.81 73.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 72.15 110.909 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -50.7 -50.63 54.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 74.01 110.851 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.6 mt -57.76 -43.99 85.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.34 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -52.18 -57.71 8.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 72.53 110.935 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.52 -47.89 75.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.53 110.851 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -55.15 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.879 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.6 t -55.64 -74.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 65.34 110.878 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 142.34 117.6 1.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 55.21 112.502 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.7 tp -145.17 -74.5 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 74.23 110.889 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -73.15 -167.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -43.87 137.22 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 75.2 110.912 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -27.43 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.916 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.0 m -81.97 -80.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.906 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 176.86 -173.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 74.43 110.883 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -134.55 121.38 20.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 72.43 110.923 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.443 ' O ' ' O ' ' A' ' 144' ' ' ALA . 2.4 p-10 -51.98 -23.74 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.92 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -40.5 -96.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.03 111.124 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.453 HG22 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.8 -21.3 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 75.44 111.143 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.409 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 1.9 ttt180 -44.79 -49.33 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.9 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.5 t -58.57 96.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.86 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -46.77 -28.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.914 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 36.7 t -47.04 -33.41 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.53 110.908 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -56.67 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.874 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 154' ' ' LEU . . . -45.34 -49.37 12.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 73.11 111.074 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.444 ' CG ' ' N ' ' A' ' 153' ' ' ASP . 1.6 ptm -52.83 -46.88 67.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 74.24 110.874 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.444 ' N ' ' CG ' ' A' ' 152' ' ' MET . 33.5 t70 -65.98 -68.36 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.865 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -49.71 -31.19 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.895 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.72 100.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 61.11 110.888 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -57.48 178.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.89 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -52.47 125.45 16.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -154.14 -179.73 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 72.51 110.887 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -69.56 148.93 48.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 75.55 110.838 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.23 -177.7 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.887 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.869 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 73.12 110.855 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 4.6 t70 -164.66 -40.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.883 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -58.79 -176.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 73.33 110.881 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -52.14 -44.64 64.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.51 110.855 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 52.9 30.7 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.862 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . -115.82 102.61 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 72.31 112.481 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 21.2 t80 -138.38 110.77 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 73.32 110.943 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -93.15 137.37 23.68 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.644 0.735 . . . . 75.41 110.863 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -20.97 33.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 75.21 112.334 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.65 -15.09 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.907 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 10.8 p -127.35 119.96 27.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.2 111.197 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 71.53 110.954 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 tpt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.714 0.292 . . . . 75.45 110.915 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 58.72 25.6 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 75.34 110.914 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -125.2 -40.75 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.943 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -52.59 148.5 7.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.884 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 t70 65.13 57.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 53.43 110.834 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.51 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.8 OUTLIER -96.35 -159.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 73.44 110.88 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.79 -14.86 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.921 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.45 -69.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.22 110.962 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 6' ' ' ASP . 8.1 p30 -53.3 -46.56 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.897 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -53.99 -70.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 64.43 110.872 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.64 -42.74 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 71.51 111.153 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.34 -47.59 72.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 72.41 111.124 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.7 m -58.13 -53.45 58.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 73.31 111.158 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.9 tp -55.04 -51.59 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 64.22 110.889 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.72 -55.01 18.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 65.44 110.864 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 t -57.97 -30.35 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 64.35 110.829 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.88 -62.16 1.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 75.54 110.941 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -57.55 -37.59 73.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 75.35 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -55.46 -25.26 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.865 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.7 mt -54.56 176.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.873 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.62 -24.15 22.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.869 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 t -114.39 -49.63 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 72.14 110.852 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.34 24.02 4.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.778 -0.725 . . . . 64.45 112.464 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.6 mm -138.75 140.07 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 75.14 111.106 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -171.02 117.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.816 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.7 -53.43 41.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 54.01 112.496 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 t -47.14 -55.59 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 71.31 110.811 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -54.27 -61.58 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 72.54 110.893 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.5 mt -47.96 -44.05 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.43 111.106 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -55.6 -53.03 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.866 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -52.58 -48.4 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.909 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mt -58.4 -50.66 72.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 75.53 110.921 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.7 m -57.32 -71.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 75.3 111.105 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.0 t -41.6 -45.27 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 71.12 111.152 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -58.17 -56.57 20.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.905 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.11 -57.6 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 55.33 111.126 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mp -57.36 -48.69 78.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.918 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -56.4 -24.5 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.05 110.898 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -132.09 83.96 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.84 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.401 ' O ' HG22 ' A' ' 40' ' ' ILE . 14.6 mm -78.09 -2.14 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 73.34 111.114 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -88.63 22.74 2.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.851 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.3 pt -149.84 27.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.32 111.171 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -55.9 -35.39 66.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.12 110.842 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -73.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 72.32 110.798 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -45.4 41.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.882 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.2 mt -54.52 -73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 73.4 111.135 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.9 mm -48.0 -46.68 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.089 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 m -56.53 -44.24 80.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.817 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.54 -66.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.914 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.9 pt -47.9 -45.16 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.113 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mt -55.57 -62.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.136 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -41.96 73.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 74.2 110.862 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.551 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 1.9 t80 -54.76 -38.94 67.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.918 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 25.1 p -66.48 -64.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.834 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -60.16 -17.23 39.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 72.25 110.885 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' ' 53' ' ' TYR . 5.2 mt -53.48 -80.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.875 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.67 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -93.45 170.08 9.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.537 0.684 . . . . 72.51 110.906 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.6 Cg_endo -69.77 -154.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 72.15 112.311 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.7 OUTLIER -27.37 -56.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 75.51 110.897 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 59' ' ' ASP . 11.0 p -33.0 -76.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.878 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.67 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 16.4 m170 -61.21 -36.12 79.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 74.5 110.909 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.9 mmtp -50.39 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 75.52 110.897 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.6 tp -53.44 -60.05 3.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 71.31 110.872 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -46.8 -52.71 11.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.493 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.8 p -54.57 -53.27 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 73.3 110.836 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -44.6 -52.25 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 73.3 110.931 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -57.04 -49.12 76.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 72.14 110.945 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.7 mt -57.41 -56.14 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 71.03 111.147 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mt -55.61 -36.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.13 111.125 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -56.21 24.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.842 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -55.86 -56.23 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.854 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 67.4 mt -54.47 -48.08 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 73.04 111.121 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.62 -55.47 24.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 71.12 112.469 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -56.49 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 75.34 110.887 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.06 -59.75 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.21 111.12 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -47.02 -48.71 21.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.926 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.9 tp -53.52 -61.23 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 74.12 110.926 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -39.68 68.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 61.42 110.848 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -55.63 -72.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 72.04 110.849 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.4 t -55.66 -42.73 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 71.1 111.119 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -54.31 -37.27 64.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 72.44 110.847 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.79 -30.43 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.868 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -114.42 -74.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 63.14 110.926 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -175.5 137.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.832 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -82.38 -177.45 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 75.25 110.894 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -146.71 144.7 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.832 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -110.23 65.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 74.24 110.837 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 p -105.22 152.35 22.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.45 110.866 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.7 p30 -98.24 35.72 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -154.81 160.56 30.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.536 0.684 . . . . 74.11 110.933 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.99 58.68 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.739 2.293 . . . . 74.22 112.344 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.23 -52.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 73.43 112.471 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.9 -173.92 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.33 . . . . 73.22 111.133 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 62.7 m -41.8 -42.29 2.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 72.31 110.918 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.98 -69.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 74.44 111.123 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.423 ' HA ' HD21 ' A' ' 99' ' ' ASN . 22.0 t-80 -53.93 -37.95 64.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 70.34 110.848 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.73 -57.41 12.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 61.52 111.077 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.15 -60.88 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 64.22 111.135 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.423 HD21 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -52.05 -46.23 65.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 72.03 110.895 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 m -54.41 -57.52 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.54 111.094 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.8 mt -51.91 -54.65 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 73.43 110.971 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.99 -16.07 31.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 73.12 112.474 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.91 -10.43 42.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 74.34 110.886 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.5 m -122.77 -14.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 72.2 111.133 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.2 tp -49.6 -29.55 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 74.33 111.131 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.407 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -51.18 -70.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.923 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -56.24 -40.58 74.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.88 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.6 -72.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 70.53 110.9 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -50.28 -67.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.91 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' LEU . 91.9 p -36.32 -57.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.879 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.58 -51.85 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 71.12 110.906 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 116' ' ' SER . . . -51.76 -57.65 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 71.44 111.099 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.1 mt -51.15 -56.93 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.43 111.102 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.95 -66.93 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 74.05 111.098 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -49.73 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.937 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 5.6 m -60.92 161.7 7.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 62.21 110.907 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -100.57 -175.72 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 73.1 110.877 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.603 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 11.0 tt0 -42.87 -52.19 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.919 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -62.33 -71.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.35 110.864 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.449 ' CB ' ' HB3' ' A' ' 116' ' ' SER . 11.4 m170 -46.17 -59.18 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.823 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.61 -38.74 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 75.43 110.86 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.06 -44.41 97.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 74.02 110.871 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -57.55 -48.01 80.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 74.02 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 19.9 mt -57.43 -49.47 80.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.52 111.137 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -55.2 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.871 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -48.25 75.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.878 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 46.1 tp -53.19 -46.45 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.901 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.404 HD12 ' CG1' ' A' ' 145' ' ' ILE . 1.2 tt -56.31 -49.2 74.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.902 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -52.53 -49.41 64.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.901 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 74.2 mt -57.93 -41.48 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.05 111.077 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -54.39 -57.3 11.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 74.05 110.915 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -55.54 -55.65 29.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -55.73 -71.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.887 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 74.5 m -55.52 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.856 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 160.37 118.41 0.49 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 65.42 112.468 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.08 -67.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.342 . . . . 73.43 110.901 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -126.08 -175.96 3.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 73.2 110.888 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -55.4 140.98 38.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 71.11 110.872 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -63.12 91.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.908 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.8 p 46.71 36.65 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.861 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -94.7 20.47 8.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 75.35 110.983 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -126.29 120.51 30.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 75.51 110.911 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.437 ' O ' ' O ' ' A' ' 144' ' ' ALA . 1.3 p-10 -53.03 -22.73 6.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.55 110.921 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -40.03 -95.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.14 111.076 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.404 ' CG1' HD12 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -69.57 -22.77 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 70.11 111.189 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.66 -53.62 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 72.31 110.901 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.5 p -62.1 98.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.865 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -47.22 -28.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 74.52 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 3.3 m -48.64 -29.54 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 75.53 110.86 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.645 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 3.6 m-30 -57.33 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.9 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 155' ' ' GLU . . . -41.14 -36.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.125 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 13.4 mtt -61.34 -70.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.884 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -65.97 -50.68 63.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 75.44 110.873 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.645 ' HB3' ' O ' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -46.87 -27.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.892 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -90.88 28.77 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.886 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -51.99 117.55 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.85 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -165.33 175.77 8.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.811 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -125.34 84.55 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.88 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -175.0 166.18 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 61.3 110.919 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 25.2 t60 55.09 36.4 26.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.872 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 30.9 m80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.865 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 16.8 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.854 0.359 . . . . 65.31 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.85 -37.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.53 110.868 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.59 -74.84 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.864 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.26 95.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.5 110.882 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.0 99.33 7.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 73.12 110.895 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 161.23 73.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.729 . . . . 74.4 112.482 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 9.4 t80 -110.87 137.77 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 75.02 110.935 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -114.65 136.99 22.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.683 0.754 . . . . 55.45 110.842 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.1 26.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 75.11 112.345 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -12.75 61.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 73.15 110.954 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 7.5 p -130.85 142.41 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 74.43 111.168 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.962 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tpt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.731 0.301 . . . . 72.35 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -140.05 -177.24 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 72.32 110.88 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.1 -25.07 68.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 65.33 110.903 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -62.37 136.32 57.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 53.43 110.824 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 64.83 51.25 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.44 110.876 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.511 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.8 OUTLIER -90.83 -160.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.852 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.5 -14.53 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.865 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -53.04 -69.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 65.42 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 6' ' ' ASP . 7.4 p30 -52.91 -48.06 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.905 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -53.63 -69.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.872 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.2 t -52.15 -42.99 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 73.13 111.104 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.68 -48.51 72.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 63.45 111.106 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -58.04 -52.84 63.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.13 111.102 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.7 tp -56.51 -52.94 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.924 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -49.84 -59.24 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 54.13 110.882 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -55.32 -31.98 62.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.87 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.13 -64.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 74.41 110.832 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -55.11 -36.19 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.886 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.45 -24.41 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.858 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.45 166.29 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.932 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.99 62.31 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.862 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.73 35.59 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.844 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.19 -50.46 3.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 71.42 112.452 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.3 mt 58.46 83.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 74.33 111.146 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.73 122.99 31.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.913 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.2 -42.01 54.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 62.05 112.529 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -51.29 -48.44 62.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 72.33 110.824 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -52.89 -60.33 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.919 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.1 mt -49.28 -44.19 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.21 111.116 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -55.67 -53.31 58.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.931 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -51.73 -49.05 63.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 74.32 110.914 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -57.37 -50.9 71.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 62.44 110.923 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 m -57.75 -72.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.473 . . . . 63.41 111.178 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.5 t -41.48 -44.81 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 71.33 111.144 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -58.08 -56.74 18.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.447 . . . . 74.12 110.884 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.38 -57.24 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 64.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 mp -57.55 -46.09 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.866 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.92 -27.41 52.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 64.13 110.869 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -130.11 83.66 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 72.12 110.881 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.4 mm -77.38 -1.46 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 75.03 111.125 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -90.44 18.88 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 62.35 110.894 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 2.1 pt -147.63 31.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.22 111.14 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -35.43 72.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 75.1 110.921 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.6 t -58.74 -72.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 62.4 110.814 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.43 -46.81 26.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 71.14 110.881 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.5 mt -56.41 -69.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 75.52 111.089 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -47.69 -47.76 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.2 111.141 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -58.09 -40.73 81.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.809 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 tp -58.61 -66.28 0.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 72.04 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.8 pt -46.66 -45.31 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.02 111.153 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt -55.62 -59.33 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.34 111.121 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -49.92 74.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.859 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -36.8 35.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.919 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.508 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -63.82 -74.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 75.43 110.878 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.97 -33.0 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 70.35 110.85 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.4 mt -57.22 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.921 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.559 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -57.31 142.6 75.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 72.22 110.915 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -99.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 74.42 112.314 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' SER . 2.1 p-10 -68.33 -54.13 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 73.53 110.875 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -37.64 -50.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.855 -179.784 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.47 -52.79 64.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.845 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 7.6 mtmp? -34.89 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.87 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.9 -56.75 17.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 73.05 110.888 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.35 -75.28 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 70.3 112.505 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 64' ' ' GLY . 15.2 t -36.56 -62.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 74.2 110.862 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.19 -53.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 74.33 110.957 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -58.07 -48.58 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.904 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 89.8 mt -56.47 -56.12 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 72.15 111.166 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mp -55.87 -36.2 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 75.33 111.095 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -56.69 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.859 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 p -56.36 -61.29 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.846 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.5 mt -53.12 -42.98 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 75.24 111.176 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.63 -58.99 10.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 72.02 112.482 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -52.15 -54.04 35.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.329 . . . . 74.05 110.844 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.5 -61.28 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.11 111.088 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -50.23 -46.61 54.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.932 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 tp -52.48 -54.07 37.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 74.41 110.905 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -42.82 74.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.24 110.867 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.32 -72.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 75.05 110.888 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -37.36 61.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 73.42 111.146 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -55.48 -45.74 76.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.908 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -51.22 -67.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 75.1 110.854 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -72.55 -75.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 75.54 110.908 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 p -179.68 168.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.816 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -102.2 -170.75 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 74.34 110.894 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -143.56 -170.63 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 70.11 110.892 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -82.55 -170.24 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 71.11 110.859 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.5 p -114.64 50.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 63.52 110.85 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -120.7 97.35 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 73.45 110.821 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.82 160.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 74.43 110.878 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 176.13 7.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 75.12 112.341 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.01 -45.3 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 73.32 112.449 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.45 -174.64 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 75.45 111.154 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 p -41.19 -48.01 3.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 75.33 110.896 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.05 -67.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.13 111.074 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -51.51 -36.23 43.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.872 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.46 -60.71 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 72.32 111.111 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 58.5 mt -53.81 -45.73 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.45 111.119 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -56.07 -53.02 62.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.835 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.8 m -54.57 -53.81 49.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.02 111.134 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 35.4 mt -50.83 -57.15 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 72.32 110.96 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.24 -15.56 23.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 73.0 112.501 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.71 -11.47 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 73.21 110.914 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.67 -16.37 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 74.35 111.122 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.0 tp -48.9 -30.35 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 71.45 111.147 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.404 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -47.43 -70.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.944 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -54.7 -40.67 69.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 73.01 110.905 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.1 mt -55.72 -75.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.958 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 110' ' ' SER . 0.3 OUTLIER -53.04 -61.81 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.898 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' LEU . 46.1 t -36.32 -69.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.88 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.88 -44.46 29.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 72.2 110.884 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.45 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.45 -56.31 21.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.33 111.113 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.2 mt -55.24 -45.21 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.132 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.01 -68.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.34 111.094 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -48.62 64.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 88.8 p -51.86 142.64 14.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 64.32 110.861 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 121' ' ' LYS . 1.2 p-10 -93.76 -176.33 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 70.24 110.898 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.606 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 75.0 mt-30 -39.97 -54.0 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 74.41 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -70.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 72.45 110.831 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 13.7 m-70 -46.52 -59.58 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.848 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.606 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.78 -38.15 6.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 70.34 110.911 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.43 -45.35 94.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.875 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -57.64 -50.68 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 74.04 110.864 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.18 -53.1 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 63.13 111.169 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.47 -52.54 21.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.841 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -46.3 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.87 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 18.7 tp -55.29 -48.01 74.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 71.54 110.885 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.453 HD11 HD13 ' A' ' 145' ' ' ILE . 3.2 tp -55.85 -51.72 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 75.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -51.12 -48.16 61.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 72.22 110.847 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.8 mt -56.92 -43.47 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 61.32 111.154 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 49.5 m0 -55.16 -60.68 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.882 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.26 -54.75 41.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 72.44 110.88 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -51.08 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.906 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.7 t -50.61 -60.61 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 64.23 110.857 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 135.86 70.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 63.42 112.513 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 60.9 tp -120.98 139.01 53.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 74.12 110.953 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 50.86 46.84 25.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.871 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -93.05 18.42 9.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.926 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.76 -9.78 24.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.6 96.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.849 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -56.84 -177.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 62.25 110.906 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -146.86 130.87 17.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 74.25 110.892 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.433 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 7.2 t-20 -58.06 -20.13 36.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.03 110.883 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -41.71 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 62.21 111.072 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.453 HD13 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.64 -24.34 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.02 111.13 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.433 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 5.8 ttt180 -43.43 -50.78 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.896 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.46 92.97 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.873 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 152' ' ' MET . 25.2 mmtm -43.98 -33.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.918 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 153' ' ' ASP . 34.7 m -40.54 -38.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 70.21 110.873 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' A' ' 154' ' ' LEU . 16.9 m-85 -58.25 -81.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.9 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 150' ' ' PHE . . . -29.12 -60.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 73.45 111.165 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.537 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 1.3 ptm -60.46 -62.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.25 110.873 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 149' ' ' CYS . 12.4 t70 -62.01 -68.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 65.41 110.851 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 150' ' ' PHE . 0.0 OUTLIER -38.78 -35.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.914 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.537 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -49.62 -59.72 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.01 110.89 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -99.19 175.84 5.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 75.53 110.885 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -57.33 177.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.897 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -95.17 39.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 63.33 110.872 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -123.95 50.23 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -75.28 -179.66 4.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.14 110.87 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 55.13 110.852 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 54.44 110.844 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -124.8 80.45 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 74.51 110.865 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 36.1 t0 -151.64 54.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 70.15 110.862 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 69.16 -75.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 70.21 110.869 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.11 166.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 72.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 60.65 67.64 2.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 73.43 112.481 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 34.0 t80 -61.63 134.94 57.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 74.12 110.912 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -106.58 94.24 9.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.659 0.742 . . . . 72.41 110.872 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.66 24.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 74.35 112.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -35.05 69.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 74.33 110.921 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 18.5 p -146.77 121.74 10.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 73.43 111.116 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 73.31 110.934 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 ptt? . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.753 0.311 . . . . 74.21 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -116.89 -35.43 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.924 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.55 -37.22 9.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.882 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -68.21 -19.09 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.875 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -108.45 43.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.836 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -90.73 -162.57 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.906 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -48.12 -26.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.88 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.61 -56.94 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.907 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.01 -52.38 58.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 71.1 110.882 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -55.38 -70.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.883 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.6 -44.05 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 73.24 111.131 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.22 -51.02 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 64.11 111.114 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.7 m -57.09 -52.55 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 74.22 111.15 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 tp -56.0 -52.62 63.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 75.45 110.94 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -49.92 -55.78 13.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.954 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -57.08 -30.87 64.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 74.51 110.832 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -62.29 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.844 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -57.5 -37.71 73.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.937 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.54 -24.78 34.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 64.13 110.86 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.4 mt -57.02 179.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.926 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -91.15 -23.04 20.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 74.15 110.895 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.7 t -117.6 -53.27 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 70.23 110.903 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.03 35.44 1.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 71.32 112.509 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -146.34 137.81 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 73.33 111.161 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.99 119.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 53.2 110.832 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.36 -50.0 61.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 75.41 112.466 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -47.02 -57.03 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 73.44 110.865 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -51.63 -59.28 4.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 75.24 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.9 mt -48.86 -43.38 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -56.5 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.88 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -50.86 -49.26 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.883 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 mt -57.52 -52.7 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.945 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -57.46 -71.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 75.52 111.143 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -41.44 -44.54 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 75.22 111.124 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -59.46 -55.75 30.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 74.13 110.911 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.03 -57.41 5.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 52.03 111.109 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mp -57.15 -48.88 77.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.888 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.82 -23.62 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 64.21 110.911 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -133.11 84.5 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.2 110.829 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.1 mm -78.04 -2.34 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.33 111.136 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -88.78 24.36 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.845 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.3 pt -151.5 27.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 71.34 111.14 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -56.59 -36.22 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.894 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.9 t -59.16 -74.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 74.15 110.857 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.33 -46.31 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 74.33 110.887 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.1 mt -55.86 -73.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.3 111.103 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.9 mm -47.2 -48.02 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.14 111.107 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -56.79 -44.19 81.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 70.22 110.858 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.7 tp -57.47 -68.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 74.03 110.909 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.4 pt -45.5 -46.39 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 75.31 111.095 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.5 mt -55.45 -59.14 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 73.1 111.115 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.59 -48.24 75.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.885 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 53' ' ' TYR . 2.6 t80 -51.37 -39.28 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.92 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.4 t -64.89 -70.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 74.43 110.839 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -20.94 25.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 72.42 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' TYR . 5.2 mt -51.96 -79.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.668 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -87.87 169.83 13.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 72.43 110.866 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.2 Cg_endo -69.81 -158.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 75.51 112.326 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -30.67 -52.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 65.34 110.881 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 59' ' ' ASP . 13.2 p -32.32 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.849 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.668 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.8 m80 -61.77 -40.51 95.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.859 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.6 mmtt -42.17 -62.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.937 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 tp -59.21 -55.76 30.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 72.02 110.889 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.26 -64.46 3.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 62.11 112.554 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -44.53 36.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 71.34 110.874 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.1 -55.37 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 73.44 110.915 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -55.75 -45.95 77.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.906 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.97 -51.19 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 74.4 111.117 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.0 mt -57.53 -37.78 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.146 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.39 -55.36 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 62.34 110.858 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.7 p -56.65 -57.97 10.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.881 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.6 mt -54.58 -44.18 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 74.25 111.14 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.57 -62.32 6.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 63.21 112.466 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -53.47 19.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 71.55 110.89 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.19 -59.77 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 65.43 111.113 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -49.71 -46.74 50.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 72.31 110.882 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -63.87 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 74.44 110.954 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -38.79 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 71.01 110.883 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.27 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.52 110.919 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.7 t -52.37 -45.63 65.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 73.41 111.129 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -50.99 -39.47 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.84 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -52.37 -29.88 26.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 61.03 110.836 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -113.73 -76.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 74.34 110.9 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 m -164.87 122.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.919 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -115.94 159.73 21.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 73.55 110.903 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.86 178.28 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.848 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.1 m -94.78 47.48 1.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 72.24 110.865 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -51.48 119.95 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 74.35 110.85 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 39.0 p-10 -51.06 144.2 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt 64.27 154.04 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.712 . . . . 75.32 110.901 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 161.71 44.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 75.32 112.376 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.88 -38.84 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 54.21 112.457 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.28 -175.36 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 72.44 111.117 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 82.0 m -47.62 -36.26 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.884 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.92 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 73.31 111.113 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -53.52 -34.79 59.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.877 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.66 -56.42 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.23 111.111 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.33 -55.88 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.11 111.152 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -43.53 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.1 110.888 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.2 m -56.38 -55.14 37.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 73.24 111.127 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 mt -54.74 -53.33 56.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.899 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.11 -15.94 31.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 61.54 112.484 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.48 -8.82 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 72.51 110.906 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.9 m -124.45 -14.81 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 73.54 111.107 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.82 -30.56 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 70.14 111.098 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.55 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.926 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.05 -37.02 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.886 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -55.89 -74.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.925 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -51.5 -64.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.912 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 89.9 p -36.37 -63.75 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 74.2 110.834 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -50.48 -48.65 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.855 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.59 -56.59 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 64.03 111.095 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 109' ' ' LEU . 4.1 mt -54.33 -52.41 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 74.53 111.131 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.79 -68.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 63.35 111.09 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.7 -50.09 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.907 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.403 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 4.2 m -54.17 158.36 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 72.52 110.895 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -97.72 -175.02 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 51.45 110.908 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.603 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.0 tt0 -44.31 -51.62 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.911 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -62.69 -69.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 64.13 110.872 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.46 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 15.7 m170 -47.3 -59.18 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.822 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.88 -38.84 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.926 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.3 -44.37 97.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 71.25 110.841 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -57.07 -48.81 77.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.931 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 69.3 mt -57.43 -50.16 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 72.21 111.091 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -52.66 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.857 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -46.55 81.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 73.01 110.884 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 15.8 tp -50.29 -51.97 40.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.949 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.465 HD11 HG21 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.77 -48.26 78.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 71.31 110.954 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.08 -51.89 39.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.858 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.53 -41.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 71.15 111.098 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 38.7 m0 -50.69 -61.05 2.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 72.15 110.943 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -55.93 -52.46 64.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 62.13 110.833 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -53.29 -70.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.876 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.1 t -56.42 -77.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 65.5 110.832 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 152.39 96.42 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 64.44 112.47 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.5 tp -156.07 135.15 12.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 72.4 110.902 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 57.93 38.86 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.838 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.07 53.17 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.901 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -99.96 68.94 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.02 110.903 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 67.55 12.24 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.823 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 61.08 167.75 0.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 72.25 110.913 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.585 ' CD1' ' N ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -128.4 126.68 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.897 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.471 ' O ' ' O ' ' A' ' 144' ' ' ALA . 0.7 OUTLIER -55.1 -25.5 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.874 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -34.72 -96.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 72.31 111.062 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.465 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -71.15 -25.08 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 73.52 111.152 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.446 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 9.1 ttt180 -36.53 -45.15 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 64.45 110.84 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.9 t -84.83 108.1 17.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 71.11 110.882 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -50.01 -16.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 73.1 110.909 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' CYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 153' ' ' ASP . 26.5 p -41.5 -37.31 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.902 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.658 ' CD1' ' N ' ' A' ' 151' ' ' ALA . 10.9 p90 -60.01 -53.47 57.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.853 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.658 ' N ' ' CD1' ' A' ' 150' ' ' PHE . . . -58.52 -60.9 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.11 111.094 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.569 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -56.08 -45.5 79.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.842 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 149' ' ' CYS . 28.3 t0 -65.45 -67.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.892 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.616 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.1 OUTLIER -59.87 -9.91 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 75.03 110.969 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.569 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -59.32 95.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.872 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -65.13 169.62 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 64.33 110.885 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -97.94 51.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.864 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -101.99 59.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.868 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 26.8 m170 51.83 79.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.89 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -119.24 -33.86 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 72.52 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.874 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.807 0.337 . . . . 73.35 110.855 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 39.8 t0 -78.12 65.36 3.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.871 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.07 -171.1 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.892 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -110.16 -46.65 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.844 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 28.3 m-20 52.45 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.902 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 55.36 80.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 50.31 112.496 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 13.7 t80 -110.79 143.7 40.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.906 0.384 . . . . 74.41 110.927 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 4.8 p30 -134.2 153.96 79.78 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 62.31 110.89 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -13.43 34.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 64.41 112.369 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -16.83 63.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.918 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 2.8 p -85.05 -175.22 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 72.21 111.171 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 74.52 110.929 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.852 0.358 . . . . 74.24 110.925 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -49.85 -26.05 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 54.13 110.851 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -49.85 -58.01 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.905 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.31 -50.5 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 71.34 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.794 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 43.9 t80 -55.3 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 63.41 110.886 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -48.55 -44.47 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 64.33 111.136 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.05 -49.8 65.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.22 111.067 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 28' ' ' ARG . 85.5 m -56.97 -53.58 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 73.43 111.176 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.6 tp -55.96 -52.36 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 50.03 110.957 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.68 -56.05 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.925 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -56.35 -31.67 63.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 72.31 110.86 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.524 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -57.13 -62.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.848 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -56.68 -35.94 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 74.14 110.893 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.21 -22.05 26.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 44.42 110.888 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.925 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 17' ' ' PHE . 5.0 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.814 0.34 . . . . 70.15 111.123 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -86.04 131.52 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.51 -34.82 64.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 70.02 112.448 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -48.67 -54.53 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 53.22 110.858 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.58 ' O ' HG21 ' A' ' 13' ' ' THR . 10.6 mpt_? -50.99 -54.92 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 74.24 110.893 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.513 ' HA ' HD12 ' A' ' 32' ' ' LEU . 61.7 mt -50.49 -45.43 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 70.34 111.084 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 34' ' ' THR . 20.5 mtmt -55.67 -54.95 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.31 110.918 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -49.55 -50.06 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.15 110.857 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.2 mt -57.49 -48.55 78.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 62.4 110.952 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.403 ' HA ' HG12 ' A' ' 72' ' ' ILE . 4.4 m -58.03 -70.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 64.5 111.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 35' ' ' TYR . 10.0 t -42.73 -45.11 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 63.04 111.13 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.478 ' N ' HG23 ' A' ' 34' ' ' THR . 7.8 t80 -58.65 -55.05 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 63.3 110.961 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.689 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.08 -57.37 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 75.3 111.111 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.703 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.0 mp -57.58 -46.43 84.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 65.53 110.88 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -56.05 -26.23 48.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 54.23 110.892 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CB ' HD11 ' A' ' 42' ' ' ILE . 68.3 m80 -132.59 85.39 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.865 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.597 HG22 HG22 ' A' ' 93' ' ' THR . 21.0 mm -77.69 -1.29 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 63.34 111.128 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.14 22.46 3.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.841 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.667 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.4 pt -150.81 29.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 63.51 111.135 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.5 OUTLIER -58.4 -33.44 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.924 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -59.48 -73.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 72.11 110.825 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.504 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.96 -47.23 21.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 61.42 110.87 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.794 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 69.7 mt -56.3 -72.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 73.12 111.192 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.812 HD12 HD11 ' A' ' 101' ' ' LEU . 41.9 mm -46.83 -46.37 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 64.3 111.149 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.7 m -58.1 -44.43 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 42.3 110.853 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.497 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.8 tp -56.7 -66.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.22 110.91 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.583 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.9 pt -47.33 -46.07 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 63.34 111.094 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.455 HD13 HG21 ' A' ' 104' ' ' VAL . 46.2 mt -55.33 -57.6 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 74.13 111.12 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -47.08 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 72.24 110.889 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.686 ' HA ' HD12 ' A' ' 56' ' ' LEU . 4.5 t80 -51.18 -40.3 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 72.03 110.923 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 t -65.92 -69.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 70.34 110.869 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -22.69 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.902 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.6 mt -51.29 -78.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 64.23 110.917 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.657 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -89.43 169.26 13.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 62.2 110.916 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.75 -158.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.246 . . . . 72.55 112.334 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' A' ' 58' ' ' PRO . 50.9 t0 -31.12 -50.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 75.53 110.917 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' ASP . 24.9 t -35.09 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.87 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.657 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 7.9 m170 -59.83 -39.37 84.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 45.11 110.833 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -43.58 -62.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 45.15 110.903 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.414 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 17.4 tp -57.47 -54.99 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.903 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.42 -64.57 3.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 71.32 112.513 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -48.79 -45.08 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 72.14 110.859 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -48.53 -53.98 16.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 72.42 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.414 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 11.0 m-85 -56.1 -46.3 79.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.887 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.482 HD13 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -56.76 -54.07 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 72.13 111.154 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 65' ' ' SER . 5.1 mt -57.12 -37.11 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 71.31 111.113 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.75 -56.18 23.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 64.11 110.849 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.85 -55.4 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 61.22 110.87 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 33' ' ' THR . 81.5 mt -55.25 -46.95 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 72.22 111.15 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.29 -56.13 23.09 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 74.32 112.495 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -50.9 -57.43 8.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 53.33 110.874 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.703 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -55.62 -56.62 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 63.31 111.122 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.689 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.2 m-30 -49.81 -52.2 34.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.93 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tp -50.25 -55.8 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 65.12 110.903 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.96 -43.54 73.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.868 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.533 ' HG3' HD23 ' A' ' 37' ' ' LEU . 10.4 mm-40 -55.85 -69.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.895 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 76' ' ' TYR . 4.9 t -55.09 -41.38 71.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 62.41 111.12 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -54.75 -40.56 69.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.2 m -51.62 -29.72 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 55.02 110.837 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -107.43 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 65.31 110.885 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 p -176.86 114.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 65.02 110.839 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 54.54 110.864 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.3 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.844 0.268 . . . . 63.41 112.35 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 93' ' ' THR . . . 172.51 -40.45 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.799 -0.715 . . . . 54.41 112.528 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.597 HG22 HG22 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -166.34 -173.72 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 65.15 111.139 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.462 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.3 m -42.29 -53.65 4.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.854 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.96 -64.21 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 74.42 111.127 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 47.0 m80 -53.06 -37.5 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.907 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 94' ' ' CYS . . . -55.57 -61.87 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 64.21 111.063 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.1 mt -53.12 -45.7 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 71.11 111.096 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -56.21 -50.93 69.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 71.52 110.909 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.4 m -55.15 -51.66 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 74.42 111.166 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.812 HD11 HD12 ' A' ' 47' ' ' ILE . 21.9 mt -54.15 -52.35 61.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.903 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.82 -15.76 28.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 72.13 112.452 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.62 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -91.93 -7.37 49.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 75.52 110.863 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.62 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.6 m -125.87 -14.37 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.116 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.836 HG13 HD12 ' A' ' 109' ' ' LEU . 3.3 tp -49.25 -30.09 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.03 111.143 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.421 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -51.79 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.912 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -55.27 -40.09 70.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.0 -69.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 55.32 110.91 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.836 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -51.87 -69.48 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 71.41 110.948 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 109' ' ' LEU . 77.9 p -34.85 -60.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.86 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -52.66 -53.11 51.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 61.34 110.863 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.69 -57.21 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 55.44 111.062 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 124' ' ' ILE . 3.7 mt -55.67 -49.73 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 52.4 111.132 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.87 -66.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 55.35 111.118 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -25.87 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.33 110.92 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.412 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 9.8 m -79.17 157.19 27.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 44.5 110.853 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.41 -176.02 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.941 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.6 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 66.8 tt0 -38.05 -52.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 72.1 110.863 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.74 -74.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.862 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -45.76 -58.39 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.788 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.06 -38.38 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 64.22 110.936 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -62.01 -45.16 94.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 71.12 110.915 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -57.59 -49.18 77.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 61.43 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.64 HG21 HG12 ' A' ' 113' ' ' ILE . 61.4 mt -57.43 -49.9 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 71.4 111.128 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -50.59 -52.28 40.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.897 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.8 ttm -56.59 -51.53 68.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 54.01 110.892 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.584 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 18.5 tp -51.68 -46.28 63.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 61.44 110.952 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.455 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.8 OUTLIER -56.19 -47.9 77.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 72.15 110.937 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.45 -51.82 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.14 110.859 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.4 mt -56.78 -41.68 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 72.3 111.113 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.584 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 21.2 m0 -54.48 -58.71 6.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.933 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -54.87 -48.92 72.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 63.23 110.867 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -55.27 -56.51 19.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 73.1 110.877 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.832 -179.753 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.758 0.313 . . . . 65.44 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.493 ' CD1' HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -70.53 -20.37 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 65.05 111.168 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -38.09 -54.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 63.11 110.853 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 96.2 p -71.46 99.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 55.25 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -43.8 -26.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 73.41 110.878 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 5.5 m -46.98 -27.48 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 72.13 110.882 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.709 ' CG ' ' N ' ' A' ' 151' ' ' ALA . 10.6 p90 -55.24 -60.18 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.932 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.709 ' N ' ' CG ' ' A' ' 150' ' ' PHE . . . -66.73 -44.4 81.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 64.12 111.124 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 9.5 mmt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.912 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.64 0.733 . . . . 72.44 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -25.56 28.61 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.692 2.262 . . . . 72.52 112.371 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.975 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.821 0.343 . . . . 63.42 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -44.23 -35.53 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.863 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -55.02 -54.84 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -52.94 -50.98 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 60.02 110.917 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.801 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 38.8 t80 -55.57 -70.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 75.51 110.852 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -48.01 -44.1 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 72.53 111.117 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.2 -50.79 63.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.43 111.049 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.59 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.1 m -56.98 -52.54 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.11 111.161 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 14.3 tp -55.6 -54.67 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 61.12 110.933 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -50.15 -56.74 9.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 62.51 110.857 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 t -56.75 -29.95 63.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 74.1 110.86 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.492 ' CD2' HD11 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -55.76 -63.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.842 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -56.93 -37.27 71.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 63.31 110.906 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -55.78 -28.34 55.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.861 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 17' ' ' PHE . 15.8 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.905 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.678 HD11 ' HG ' ' A' ' 63' ' ' LEU . 22.2 mm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.83 0.347 . . . . 73.24 111.139 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.3 122.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 61.24 110.861 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.38 -62.09 6.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 43.52 112.465 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m -49.38 -47.77 47.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 71.44 110.864 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.59 ' O ' HG21 ' A' ' 13' ' ' THR . 9.5 mpt_? -54.49 -68.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 71.45 110.914 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -47.95 -43.15 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.112 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.65 ' O ' HG22 ' A' ' 34' ' ' THR . 20.0 mttt -55.65 -54.13 47.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.926 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -51.51 -48.13 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.53 110.901 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD23 ' CD1' ' A' ' 10' ' ' PHE . 16.6 mt -57.75 -51.62 68.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.921 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.428 HG23 ' HA ' ' A' ' 72' ' ' ILE . 6.1 m -57.6 -71.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.4 111.126 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.6 t -42.18 -45.34 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 65.41 111.101 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.483 ' N ' HG23 ' A' ' 34' ' ' THR . 27.1 t80 -58.33 -53.79 54.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 72.21 110.928 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.699 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -50.13 -57.8 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 73.24 111.078 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.643 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.5 mp -57.33 -46.87 82.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.866 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -55.9 -25.56 43.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 63.45 110.863 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.631 ' HB2' HD11 ' A' ' 42' ' ' ILE . 30.5 m-70 -131.0 83.7 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 73.42 110.848 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.619 HG22 HG22 ' A' ' 93' ' ' THR . 17.5 mm -78.88 -1.66 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.119 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -90.29 15.34 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 73.1 110.881 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.631 HD11 ' HB2' ' A' ' 39' ' ' HIS . 3.0 pt -143.25 29.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 61.41 111.151 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.696 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.2 pm0 -57.95 -36.94 73.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.878 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 t -58.4 -72.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 64.22 110.874 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.84 -47.31 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 63.13 110.897 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.801 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 84.4 mt -55.8 -70.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.25 111.129 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.637 HD12 HD11 ' A' ' 101' ' ' LEU . 38.8 mm -47.46 -47.06 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 63.54 111.148 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -58.16 -41.91 84.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.896 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.531 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.0 tp -57.85 -66.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 71.35 110.891 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.514 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.4 pt -47.59 -45.94 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 72.41 111.117 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -55.91 -60.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 63.41 111.133 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -56.39 -51.08 69.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.857 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.773 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -51.01 -36.01 37.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.919 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.622 ' OG ' HD22 ' A' ' 108' ' ' LEU . 4.3 p -63.69 -72.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.878 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.601 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.0 ptt85 -44.38 -32.85 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 73.24 110.85 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 53' ' ' TYR . 45.1 mt -60.8 -81.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.899 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 55.6 m -51.83 141.29 27.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.615 0.721 . . . . 71.33 110.853 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -99.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 75.4 112.363 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -68.34 -53.63 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.933 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.8 m -38.3 -49.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 43.33 110.87 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.595 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.7 -51.65 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.02 110.87 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.706 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.4 mtmp? -37.83 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.876 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.678 ' HG ' HD11 ' A' ' 24' ' ' ILE . 9.4 tp -62.85 -55.17 28.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 75.22 110.924 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.488 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -49.65 -76.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 70.34 112.526 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' GLY . 19.2 t -36.6 -59.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.969 0.414 . . . . 70.55 110.858 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.801 HD22 HD23 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -40.59 -54.5 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.948 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.602 ' CD2' HD12 ' A' ' 24' ' ' ILE . 3.3 m-30 -57.4 -48.77 78.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 73.15 110.941 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.492 HD11 ' CD2' ' A' ' 17' ' ' PHE . 69.3 mt -55.87 -55.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 65.12 111.169 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.8 mt -55.37 -37.31 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.117 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -58.41 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 55.03 110.88 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -53.84 -62.09 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 61.24 110.843 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.428 ' HA ' HG23 ' A' ' 33' ' ' THR . 58.5 mt -52.06 -47.4 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 74.23 111.126 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.84 -55.23 28.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 54.33 112.538 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -56.81 11.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 73.34 110.918 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.643 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -56.08 -59.64 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.41 111.098 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.699 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.5 m-30 -48.6 -46.49 39.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.94 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.5 tp -53.68 -56.4 17.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.915 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.2 -41.14 71.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 43.34 110.834 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.16 -72.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 62.12 110.864 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -55.18 -35.95 65.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.176 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -55.21 -44.65 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.861 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.62 -64.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 71.4 110.902 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -75.07 -75.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 65.23 110.862 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.18 146.33 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.901 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.904 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.6 Cg_endo . . . . . 0 N--CA 1.465 -0.157 0 CA-C-O 120.865 0.277 . . . . 64.32 112.364 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 93' ' ' THR . . . 167.46 -41.41 0.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 71.32 112.469 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.619 HG22 HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -171.52 -174.02 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 62.01 111.158 -179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 p -40.65 -50.81 3.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.87 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.36 -61.94 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.23 111.054 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 52.6 m80 -53.82 -39.9 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.886 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -53.71 -60.15 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 64.43 111.125 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.604 HD12 HG21 ' A' ' 80' ' ' THR . 50.7 mt -54.74 -45.24 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 53.41 111.126 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -55.42 -54.41 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.871 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.2 m -54.73 -49.83 69.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 75.02 111.124 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.637 HD11 HD12 ' A' ' 47' ' ' ILE . 38.2 mt -55.22 -56.94 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.898 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.91 -15.35 27.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 72.35 112.497 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.591 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -90.51 -8.6 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 64.22 110.899 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.591 HG13 ' HG2' ' A' ' 103' ' ' GLU . 4.2 m -123.94 -19.99 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 72.05 111.129 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.814 HG13 HD12 ' A' ' 109' ' ' LEU . 4.0 tp -46.63 -30.81 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 62.21 111.137 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.477 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -48.29 -74.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.3 110.95 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -51.51 -39.94 58.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 54.2 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.622 HD22 ' OG ' ' A' ' 54' ' ' SER . 51.3 mt -56.14 -71.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 60.22 110.918 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.814 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -52.14 -64.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.944 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 5.0 m -35.88 -64.9 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.843 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -49.4 -48.62 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 73.02 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.451 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.83 -57.2 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 60.41 111.115 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.578 HG12 HG21 ' A' ' 124' ' ' ILE . 2.7 mt -55.72 -45.14 79.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 75.14 111.1 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.1 -66.49 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 74.04 111.133 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -55.57 -56.3 21.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.32 110.91 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 77.3 p -39.06 143.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.868 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -92.4 -174.33 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.838 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.588 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.2 pp0? -43.33 -52.11 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.54 -68.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.477 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 12.1 m170 -47.94 -59.71 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.847 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -46.15 -37.53 7.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 75.25 110.904 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -60.89 -46.3 91.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.931 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -57.83 -49.12 77.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 72.23 110.933 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.652 HG12 HD13 ' A' ' 66' ' ' LEU . 57.8 mt -56.6 -49.85 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.114 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -50.93 -51.35 53.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 72.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.48 -50.89 68.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 63.45 110.85 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.801 HD23 HD22 ' A' ' 66' ' ' LEU . 38.3 tp -53.41 -43.67 68.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 52.34 110.925 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.73 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.5 OUTLIER -56.59 -48.82 76.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.51 110.903 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.49 -50.74 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 76.1 mt -57.38 -41.01 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 74.25 111.145 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.572 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 26.5 m0 -54.98 -59.22 5.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.96 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -55.33 -51.74 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 63.4 110.865 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -55.53 -69.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.867 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.13 110.838 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.737 0.303 . . . . 73.32 111.1 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.73 ' CB ' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -64.03 -27.08 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 72.11 111.162 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -39.48 -52.36 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.859 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 94.5 p -58.42 98.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 71.43 110.862 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -47.21 -28.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.926 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 48.5 t -47.76 -30.35 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.824 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -55.57 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 72.24 110.876 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -46.79 -45.98 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 53.42 111.165 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 1.1 ptm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.903 179.908 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.584 0.707 . . . . 65.51 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1009 ' ' PRO . . . . . 0.416 ' HG3' HD13 ' A' ' 127' ' ' LEU . 53.9 Cg_endo -69.77 -18.52 36.91 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.711 2.274 . . . . 64.21 112.373 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 61.54 110.908 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.824 0.345 . . . . 50.24 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' A' ' 11' ' ' VAL . 3.0 t80 -49.96 -25.11 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.854 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -48.72 -58.05 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 54.01 110.88 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.1 -51.66 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 63.51 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.793 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 32.3 t80 -55.94 -70.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 72.34 110.911 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.471 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -47.77 -45.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.34 111.104 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.428 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.24 -50.08 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.43 111.05 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.544 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.4 m -57.07 -53.41 58.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 72.13 111.127 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD23 ' HG ' ' A' ' 49' ' ' LEU . 12.0 tp -56.32 -53.83 52.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 71.32 110.933 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.0 -59.71 3.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 72.43 110.848 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -56.07 -30.44 61.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.861 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.445 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.1 t80 -56.84 -63.73 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.03 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -56.77 -37.29 70.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 64.42 110.935 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -55.69 -29.03 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.889 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 17' ' ' PHE . 18.2 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.915 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.719 HD11 ' HB3' ' A' ' 63' ' ' LEU . 2.5 mp . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.854 0.359 . . . . 73.44 111.109 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 120.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 64.54 110.884 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.44 -47.43 76.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 74.24 112.53 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 t -45.4 -59.62 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 64.32 110.845 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.544 ' O ' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -51.72 -58.83 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.853 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.589 ' HA ' HD12 ' A' ' 32' ' ' LEU . 78.9 mt -49.12 -45.55 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 73.22 111.14 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 34' ' ' THR . 7.7 mmtp -53.03 -57.14 11.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.873 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -47.5 61.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 54.55 110.895 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 29' ' ' ILE . 4.7 mt -58.61 -52.4 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 62.55 110.921 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.471 HG23 ' HA ' ' A' ' 72' ' ' ILE . 1.9 m -56.51 -69.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.168 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.1 t -44.85 -44.92 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 55.3 111.156 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.475 ' N ' HG23 ' A' ' 34' ' ' THR . 24.5 t80 -58.1 -58.95 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.9 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.731 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -46.77 -57.35 4.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 54.32 111.094 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.583 HD21 ' HB1' ' A' ' 75' ' ' ALA . 5.0 mp -57.07 -48.42 78.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 65.24 110.963 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -55.94 -25.31 42.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 64.55 110.858 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.63 ' CB ' HD11 ' A' ' 42' ' ' ILE . 12.1 m-70 -129.9 83.36 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.14 110.804 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.619 HG22 HG22 ' A' ' 93' ' ' THR . 20.7 mm -77.89 -1.27 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 73.25 111.172 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -90.3 18.11 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 55.43 110.863 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.63 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.6 pt -147.57 30.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 60.24 111.094 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.5 pm0 -57.75 -36.76 72.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.841 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 t -57.64 -74.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 64.41 110.841 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.67 -46.36 19.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.872 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.793 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 78.6 mt -56.72 -70.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.12 111.118 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.533 HD12 ' HG ' ' A' ' 101' ' ' LEU . 36.3 mm -46.72 -49.17 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 53.44 111.148 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -42.24 82.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 72.45 110.813 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.504 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.1 tp -57.3 -66.7 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.913 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.527 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.5 pt -46.85 -45.84 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.141 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -56.43 -57.9 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.101 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -57.02 -49.62 75.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 64.22 110.826 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.775 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -51.36 -37.08 46.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.929 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.578 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 9.3 p -63.04 -72.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 64.41 110.863 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.578 ' N ' ' OG ' ' A' ' 54' ' ' SER . 7.7 ptt85 -45.11 -32.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 72.43 110.916 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 53' ' ' TYR . 38.8 mt -60.75 -84.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.918 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -50.65 141.15 17.92 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.589 0.709 . . . . 65.54 110.9 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -100.36 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 73.43 112.349 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -68.95 -53.27 21.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 52.51 110.856 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -38.44 -50.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 53.24 110.868 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.553 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -57.05 -52.19 66.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 71.3 110.864 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.756 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.9 mtmp? -36.78 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 64.4 110.915 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.77 HD12 ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -61.51 -58.13 9.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.918 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.96 -76.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.493 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' GLY . 21.3 t -35.79 -58.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 74.34 110.827 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -41.38 -55.12 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 75.1 110.918 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.77 ' CE2' HD12 ' A' ' 63' ' ' LEU . 8.1 m-85 -56.45 -45.99 80.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.2 110.958 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.94 -56.0 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 71.51 111.137 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 105' ' ' ILE . 36.9 mt -55.91 -36.85 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 64.51 111.156 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -57.18 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 73.24 110.835 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -64.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 61.34 110.847 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.471 ' HA ' HG23 ' A' ' 33' ' ' THR . 83.3 mt -55.33 -33.98 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 63.42 111.123 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.26 -69.43 1.28 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.72 . . . . 74.51 112.465 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 ptt85 -55.19 -38.46 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 72.33 110.858 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.583 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -60.02 -61.0 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 72.21 111.096 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.731 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 3.0 m-30 -53.81 -46.86 71.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 71.5 110.936 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 tp -52.38 -53.82 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 74.33 110.906 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -43.72 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.898 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.23 -71.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -53.1 -40.06 63.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 55.34 111.125 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -55.46 -37.64 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.878 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -50.11 -32.92 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 61.41 110.873 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -119.67 -76.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 70.02 110.843 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -166.62 164.64 16.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.839 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 62.44 110.871 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.147 0 CA-C-O 120.878 0.283 . . . . 73.35 112.323 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 93' ' ' THR . . . 176.8 -37.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 54.52 112.49 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.619 HG22 HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -168.77 -174.54 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 72.22 111.169 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -42.33 -50.68 5.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 73.34 110.834 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.81 -64.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.12 111.086 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 42.7 m80 -51.43 -41.54 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 72.52 110.827 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.621 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -54.62 -57.28 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 31.13 111.128 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.411 ' CD1' HG21 ' A' ' 80' ' ' THR . 20.2 mt -52.21 -49.89 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 63.41 111.088 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -55.27 -54.98 36.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.893 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.6 m -50.04 -57.13 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.124 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.533 ' HG ' HD12 ' A' ' 47' ' ' ILE . 62.7 mt -49.69 -59.56 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.912 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.55 -14.43 21.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.675 -0.774 . . . . 34.43 112.493 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.545 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -88.09 -11.22 47.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 70.11 110.893 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.545 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.9 m -123.11 -20.61 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 72.42 111.107 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.773 HG13 HD12 ' A' ' 109' ' ' LEU . 3.5 tp -47.72 -30.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.24 111.136 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.462 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -49.1 -69.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 61.04 110.895 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.44 -39.83 73.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 105' ' ' ILE . 77.4 mt -55.09 -67.33 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.957 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.773 HD12 HG13 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -53.4 -63.82 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 54.25 110.862 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' LEU . 66.2 p -37.52 -67.25 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 50.42 110.905 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -48.2 -46.1 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.869 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.451 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -56.38 -59.05 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 73.33 111.064 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.433 HG12 HG21 ' A' ' 124' ' ' ILE . 2.4 mt -52.76 -50.07 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 73.33 111.112 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.18 -69.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.125 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -30.31 16.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 55.41 110.913 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.414 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 3.3 m -69.72 150.51 46.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.844 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -98.51 -172.86 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.889 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.633 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.6 mt-30 -44.52 -51.78 8.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 71.53 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -63.06 -66.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.414 ' HB2' ' HB3' ' A' ' 116' ' ' SER . 43.2 m170 -48.59 -59.92 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 73.15 110.904 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.2 OUTLIER -45.91 -38.4 7.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.888 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -45.7 93.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 75.31 110.885 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -58.14 -50.08 74.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 62.25 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.619 HG12 HD13 ' A' ' 66' ' ' LEU . 52.6 mt -57.6 -48.9 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.01 111.129 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -52.0 -51.08 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 73.54 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.1 ttm -55.63 -54.24 46.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 52.4 110.866 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.814 HD12 ' HG3' ' B' 1009 ' ' PRO . 10.9 tp -50.36 -45.55 55.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 55.32 110.921 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.697 HD11 HD12 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -57.15 -49.12 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.889 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -51.7 -50.7 59.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 74.2 110.891 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.548 HG21 ' HG2' ' B' 1009 ' ' PRO . 62.4 mt -59.18 -39.53 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 64.13 111.135 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.587 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 38.4 m0 -52.36 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 74.3 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -55.75 -49.16 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.855 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -55.36 -71.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.858 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.843 -179.775 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.786 0.327 . . . . 55.11 111.122 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.697 HD12 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -65.09 -27.99 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.1 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 145' ' ' ILE . 0.8 OUTLIER -36.44 -53.48 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.852 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.5 t -50.95 102.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -47.86 -29.74 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 55.21 110.915 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.25 -30.97 19.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 65.45 110.911 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -55.92 -87.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 70.23 110.826 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -48.44 -43.34 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 73.1 111.131 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 12.3 mtp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 55.54 110.894 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.586 0.708 . . . . 61.23 110.933 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1009 ' ' PRO . . . . . 0.814 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.8 Cg_endo -69.75 -23.57 30.71 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.678 2.252 . . . . 71.13 112.321 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1010 ' ' TYR . . . . . 0.404 ' CD2' HG23 ' A' ' 130' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.884 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.825 0.345 . . . . 52.2 110.874 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -55.97 -31.83 63.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.864 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -57.12 -56.86 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 65.45 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.76 -51.76 62.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 64.11 110.836 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.782 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 28.9 t80 -55.07 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.873 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -48.33 -44.02 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 75.02 111.106 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.23 -49.86 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 34.04 111.11 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.534 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.1 m -56.84 -52.87 63.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 75.0 111.153 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD1' HD13 ' A' ' 68' ' ' ILE . 11.8 tp -55.9 -54.47 44.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.955 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -50.08 -58.47 5.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.882 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -56.91 -28.93 62.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 64.32 110.868 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.745 ' CD2' HD11 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -56.16 -62.92 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.923 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -57.59 -36.21 71.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 71.13 110.898 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -54.76 -24.55 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 65.1 110.842 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.531 HD12 ' HD1' ' A' ' 17' ' ' PHE . 20.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.942 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.791 0.329 . . . . 73.33 111.091 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.56 121.66 5.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.904 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.95 -42.05 85.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 55.12 112.451 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -48.57 -57.72 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 52.14 110.885 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.534 ' O ' HG21 ' A' ' 13' ' ' THR . 6.5 mpt_? -53.78 -58.66 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.11 110.877 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.48 HG23 ' HA ' ' A' ' 68' ' ' ILE . 67.3 mt -49.53 -43.94 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 64.12 111.185 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 34' ' ' THR . 8.1 mttp -55.14 -54.31 44.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 63.23 110.888 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.39 -50.26 65.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 70.41 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.556 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.4 mt -57.79 -51.21 70.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 74.14 110.929 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.41 ' HA ' HG12 ' A' ' 72' ' ' ILE . 5.0 m -57.4 -72.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 64.2 111.142 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.4 t -42.49 -43.74 3.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 75.35 111.133 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' HG23 ' A' ' 34' ' ' THR . 10.2 t80 -57.36 -57.53 12.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.905 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.481 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.72 -51.1 41.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 72.52 111.085 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.518 ' HA ' HD11 ' A' ' 40' ' ' ILE . 4.0 mm? -56.75 -50.08 73.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.934 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -57.21 -27.1 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.849 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.682 ' HB2' HD11 ' A' ' 42' ' ' ILE . 18.3 m-70 -130.09 85.29 2.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 65.41 110.851 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 40' ' ' ILE . 31.0 mm -80.47 -1.69 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 71.52 111.121 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -90.25 23.43 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 63.12 110.82 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.682 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.7 pt -148.11 30.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.21 111.144 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.696 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.8 pp20? -57.64 -37.17 72.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 64.34 110.891 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 t -57.82 -74.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 74.52 110.856 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.494 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.05 -47.41 22.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 62.3 110.886 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.782 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 86.8 mt -55.94 -70.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 74.21 111.159 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.894 HD12 HD11 ' A' ' 101' ' ' LEU . 38.0 mm -48.02 -47.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.43 111.071 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.4 m -57.27 -44.54 84.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 64.21 110.839 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.455 HD23 ' CE2' ' A' ' 10' ' ' PHE . 17.1 tp -56.99 -67.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.852 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.8 pt -46.61 -46.46 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.53 111.115 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.653 HD13 HG21 ' A' ' 104' ' ' VAL . 54.1 mt -56.95 -56.47 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 52.5 111.09 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -51.02 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.86 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.73 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.7 t80 -51.83 -38.05 54.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.907 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.1 t -63.33 -75.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 52.14 110.814 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -30.38 27.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 72.34 110.85 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.8 mt -42.48 -77.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 51.32 110.932 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.678 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -89.2 169.28 13.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 72.51 110.916 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.78 -158.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.654 2.236 . . . . 71.04 112.35 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -31.96 -50.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.24 110.913 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 59' ' ' ASP . 61.7 m -33.28 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 62.44 110.856 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.678 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 12.2 m170 -60.98 -38.61 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 72.22 110.863 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -45.29 -62.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.92 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.99 -59.18 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.92 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.72 -64.17 3.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 72.12 112.468 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -45.99 32.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.934 0.397 . . . . 52.22 110.845 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mt -47.84 -53.92 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 70.31 110.886 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -55.93 -46.44 78.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.919 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.745 HD11 ' CD2' ' A' ' 17' ' ' PHE . 22.8 mt -57.08 -52.99 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 55.23 111.099 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.579 HG12 HD12 ' A' ' 50' ' ' ILE . 54.4 mt -56.88 -37.98 56.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.1 111.133 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.05 -55.31 34.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 61.0 110.853 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -55.97 -56.97 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 54.24 110.871 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' A' ' 33' ' ' THR . 81.2 mt -55.03 -45.86 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 53.31 111.11 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.79 -56.15 24.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 61.24 112.485 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -57.7 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 73.4 110.904 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -55.13 -49.53 71.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 63.11 111.088 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.536 ' O ' HG22 ' A' ' 80' ' ' THR . 2.0 m-85 -55.16 -51.89 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 65.33 110.928 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.459 HD12 HD13 ' A' ' 98' ' ' ILE . 9.4 tp -51.09 -56.52 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 72.35 110.927 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -42.25 71.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 37' ' ' LEU . 22.1 mm-40 -56.26 -72.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.876 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 76' ' ' TYR . 2.5 t -52.95 -45.28 67.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 73.55 111.185 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -54.95 -35.79 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.915 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.15 -29.94 24.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.859 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -75.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 75.41 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t -178.21 154.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 65.5 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.3 p30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 75.13 110.925 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.825 0.26 . . . . 72.14 112.329 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.9 -37.64 0.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 61.34 112.524 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -152.81 -176.08 5.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.743 0.306 . . . . 73.42 111.171 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.458 ' SG ' HD12 ' A' ' 40' ' ' ILE . 79.6 m -47.86 -36.58 12.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.907 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.44 -72.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 74.52 111.117 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -53.24 -34.8 58.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.43 110.866 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -57.2 -57.9 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 73.41 111.105 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.459 HD13 HD12 ' A' ' 77' ' ' LEU . 55.9 mt -56.15 -54.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 63.14 111.152 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -43.25 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 62.31 110.901 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.8 m -56.73 -56.62 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.45 111.111 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.894 HD11 HD12 ' A' ' 47' ' ' ILE . 17.1 mt -55.31 -48.84 73.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 64.53 110.918 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.6 -14.56 29.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 64.53 112.451 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.628 ' HG2' HG13 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -97.94 -4.87 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 71.11 110.888 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.653 HG21 HD13 ' A' ' 51' ' ' ILE . 4.6 m -126.91 -13.88 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.137 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.828 HG13 HD12 ' A' ' 109' ' ' LEU . 1.4 tp -48.8 -31.42 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.147 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.428 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -47.75 -71.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.879 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.18 -37.93 70.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.894 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.69 -75.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 71.11 110.937 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.828 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -52.2 -61.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.892 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' LEU . 92.6 p -36.78 -62.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 75.45 110.88 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -55.35 -46.97 76.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 71.14 110.853 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.28 -58.74 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 54.51 111.073 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.6 mt -52.49 -51.54 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.111 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' HB3' ' HE2' ' A' ' 115' ' ' LYS . . . -57.38 -65.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 64.42 111.159 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -54.88 -21.31 11.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 44.31 110.903 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.454 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 6.2 m -85.31 150.34 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.83 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -97.98 -173.4 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 74.53 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.622 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 14.8 mt-30 -42.62 -52.54 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 74.11 110.881 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -68.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.842 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.46 -59.27 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.52 -38.55 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 63.22 110.886 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -61.47 -44.76 96.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 63.52 110.889 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -57.87 -49.42 76.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.908 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.438 ' CG2' HD23 ' A' ' 109' ' ' LEU . 62.2 mt -57.64 -50.4 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.1 111.136 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -52.41 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.883 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 ttm -55.85 -49.5 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.905 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.574 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 24.6 tp -51.06 -50.03 59.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 65.3 110.943 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.779 HD11 HG13 ' A' ' 145' ' ' ILE . 0.7 OUTLIER -55.28 -48.52 73.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 63.11 110.909 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -51.52 -49.42 61.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 73.21 110.857 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.9 mt -57.76 -43.04 83.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 61.1 111.144 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.574 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 45.5 m0 -53.58 -59.09 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 71.42 110.931 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -55.1 -49.87 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 75.42 110.85 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -53.5 -64.27 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.888 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 72.34 110.836 -179.779 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.727 0.298 . . . . 63.33 111.087 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.791 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.55 -24.15 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 62.21 111.14 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -42.53 -49.85 5.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.902 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.6 t -68.57 103.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.849 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -48.43 -26.78 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.884 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 2.6 m -46.91 -32.19 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 74.02 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -57.83 -95.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 70.33 110.887 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -38.73 -39.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 75.24 111.086 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 31.1 mtp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.881 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 27.4 t30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.628 0.728 . . . . 71.1 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.22 36.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 61.13 112.358 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.814 0.34 . . . . 73.12 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -46.82 -29.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 63.33 110.821 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -49.72 -58.08 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.921 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -53.53 -51.19 63.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.92 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.801 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 12.7 t80 -56.28 -68.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 74.1 110.886 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -48.49 -44.65 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 63.23 111.113 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -52.85 -50.53 63.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.15 111.064 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.553 HG21 ' O ' ' A' ' 28' ' ' ARG . 29.1 m -57.61 -52.19 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.15 111.15 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.426 HD21 ' HB3' ' A' ' 53' ' ' TYR . 10.1 tp -55.5 -55.48 31.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 72.2 110.93 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -49.41 -58.31 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.88 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 t -56.86 -28.73 62.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 72.35 110.891 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.548 ' HD1' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -56.38 -62.08 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 52.43 110.848 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -57.0 -35.15 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.915 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -55.53 -23.1 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 62.53 110.91 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.548 HD12 ' HD1' ' A' ' 17' ' ' PHE . 19.0 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.923 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.727 HD11 ' HG ' ' A' ' 63' ' ' LEU . 32.8 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.852 0.358 . . . . 74.13 111.109 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.6 m -152.77 119.06 5.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 75.05 110.823 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.21 -50.19 60.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 34.54 112.476 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -49.72 -51.96 34.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 73.04 110.824 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.553 ' O ' HG21 ' A' ' 13' ' ' THR . 10.5 mpt_? -55.06 -64.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.917 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.431 ' HA ' HD12 ' A' ' 32' ' ' LEU . 53.2 mt -49.23 -41.76 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 74.02 111.16 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.677 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.13 -56.79 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.89 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -52.86 -48.76 66.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 75.4 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 10' ' ' PHE . 11.3 mt -56.8 -52.83 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.964 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.402 HG23 ' HA ' ' A' ' 72' ' ' ILE . 10.5 m -57.51 -72.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 63.15 111.115 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.4 t -41.22 -44.68 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 62.54 111.164 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.484 ' N ' HG23 ' A' ' 34' ' ' THR . 21.9 t80 -57.37 -55.94 28.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.897 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -51.72 -52.67 46.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 63.23 111.135 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.442 ' HA ' HD11 ' A' ' 40' ' ' ILE . 3.6 mm? -57.85 -48.24 80.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.895 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.71 -27.47 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.83 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.657 ' HB3' HD11 ' A' ' 42' ' ' ILE . 5.7 t-160 -131.8 86.08 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.84 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.533 HG22 HG22 ' A' ' 93' ' ' THR . 15.1 mm -80.37 0.65 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 62.14 111.11 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -88.17 12.24 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 70.24 110.873 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.657 HD11 ' HB3' ' A' ' 39' ' ' HIS . 2.7 pt -139.22 30.82 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.34 111.172 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.0 pm0 -57.49 -37.62 73.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.01 110.885 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 t -57.95 -73.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.898 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.42 -46.2 26.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 73.43 110.877 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.801 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 75.0 mt -56.23 -71.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.099 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.726 HD12 HD11 ' A' ' 101' ' ' LEU . 40.2 mm -47.26 -48.43 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 62.22 111.115 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -57.61 -41.54 81.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.827 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 11' ' ' VAL . 20.1 tp -58.09 -67.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.918 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 47' ' ' ILE . 5.7 pt -46.54 -46.53 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 63.22 111.136 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.408 HD12 HG22 ' A' ' 47' ' ' ILE . 84.9 mt -56.37 -59.59 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 70.45 111.118 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.58 -52.57 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.02 110.899 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.426 ' HB3' HD21 ' A' ' 14' ' ' LEU . 2.9 t80 -49.36 -37.62 25.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 75.41 110.956 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.624 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 8.0 p -63.25 -76.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 73.24 110.843 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.624 ' N ' ' OG ' ' A' ' 54' ' ' SER . 6.6 ptt85 -42.69 -35.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.849 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.94 -75.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 61.02 110.904 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.8 m -46.54 151.28 1.04 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 73.12 110.9 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -155.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 74.12 112.32 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.432 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 10.4 p-10 -38.77 -46.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.89 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -44.01 -41.63 5.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 74.42 110.874 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.591 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.2 -49.25 77.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 65.0 110.852 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.597 ' O ' HD12 ' A' ' 66' ' ' LEU . 7.3 mttp -43.5 -67.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.913 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.727 ' HG ' HD11 ' A' ' 24' ' ' ILE . 9.4 tp -61.78 -58.48 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 74.24 110.88 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -50.04 -72.28 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 45.11 112.494 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' GLY . 39.7 t -37.68 -56.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 62.52 110.863 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.686 HD13 HG12 ' A' ' 124' ' ' ILE . 0.3 OUTLIER -41.81 -54.83 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 52.35 110.943 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.606 ' CD2' HD12 ' A' ' 24' ' ' ILE . 3.8 m-30 -57.46 -46.55 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.909 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.5 mt -55.82 -54.43 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 51.31 111.107 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.3 mt -56.03 -38.09 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 65.35 111.16 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -57.11 -54.42 46.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.01 110.913 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -56.39 -64.88 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 62.14 110.898 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.402 ' HA ' HG23 ' A' ' 33' ' ' THR . 39.9 mt -51.51 -44.58 33.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 75.05 111.109 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.35 -56.39 19.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.764 . . . . 62.03 112.508 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 mtm105 -53.35 -58.01 8.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 73.31 110.876 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.56 -58.77 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 63.32 111.091 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.604 ' O ' HG22 ' A' ' 80' ' ' THR . 2.3 m-85 -50.85 -46.05 59.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.905 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 tp -53.48 -53.85 45.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 64.14 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -41.56 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.861 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.91 -71.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.855 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.635 HG21 HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -54.43 -40.73 68.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.12 111.133 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -55.36 -39.32 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 73.1 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -59.72 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.854 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -92.97 -75.85 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.915 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 t -174.66 -175.06 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 70.21 110.878 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.5 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 64.12 110.869 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.803 0.251 . . . . 73.53 112.345 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 93' ' ' THR . . . 179.92 -33.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 75.4 112.502 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 92' ' ' GLY . 0.7 OUTLIER -162.9 -176.06 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 72.33 111.15 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.7 p -45.23 -44.76 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 75.2 110.884 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.07 -76.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 64.42 111.083 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -51.07 -34.98 32.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 73.53 110.908 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.5 -56.14 24.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 54.4 111.111 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 80' ' ' THR . 74.8 mt -56.63 -54.84 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 60.25 111.132 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -43.6 74.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 73.32 110.878 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.4 m -56.76 -55.53 33.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 63.44 111.152 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 47' ' ' ILE . 33.6 mt -52.86 -53.09 53.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.892 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.49 -15.23 23.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 74.23 112.521 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.547 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -88.41 -13.01 41.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 71.41 110.904 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.547 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -120.02 -19.28 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 72.32 111.136 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.748 ' HA ' HD12 ' A' ' 108' ' ' LEU . 4.6 tp -52.44 -27.19 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 63.45 111.135 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.403 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -50.21 -69.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 73.12 110.927 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.09 -43.81 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.55 110.879 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 105' ' ' ILE . 33.2 mt -54.89 -68.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 62.5 110.915 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.717 HD12 HG13 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -50.94 -68.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 70.54 110.94 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 109' ' ' LEU . 50.1 p -34.52 -70.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 51.24 110.876 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.99 -48.19 52.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 64.12 110.818 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.49 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -47.53 -59.59 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 65.43 111.142 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -58.31 -41.2 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.51 111.162 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.91 -71.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 72.43 111.073 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -42.44 74.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 50.24 110.883 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.463 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 5.8 m -49.74 143.3 7.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 52.14 110.859 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -94.88 -172.19 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.888 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.633 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 7.8 tt0 -43.46 -52.69 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.944 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.07 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 70.01 110.888 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -48.77 -60.05 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.834 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.92 -38.66 7.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.904 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -44.98 95.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 64.14 110.905 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -58.18 -51.93 67.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.686 HG12 HD13 ' A' ' 66' ' ' LEU . 51.5 mt -56.88 -51.48 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.12 111.117 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -54.3 16.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 53.15 110.91 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.37 -48.5 74.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.859 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.745 HD12 ' HG3' ' B' 1009 ' ' PRO . 7.8 tp -54.72 -43.93 73.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 65.01 110.878 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.62 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -57.06 -49.7 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 65.13 110.926 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.48 -55.01 36.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.833 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.435 HG21 ' HG2' ' B' 1009 ' ' PRO . 55.9 mt -56.81 -38.7 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 75.24 111.137 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.612 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 12.5 m0 -54.81 -61.42 2.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.928 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -55.8 -47.04 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.87 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -55.14 -59.22 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.855 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.843 -179.788 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.74 0.305 . . . . 54.23 111.076 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.62 ' CB ' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -68.15 -22.77 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.176 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -41.99 -51.59 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 64.15 110.907 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.0 t -61.98 94.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 62.34 110.897 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -46.72 -28.54 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 61.45 110.887 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 16.5 m -47.52 -33.28 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 51.04 110.847 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -56.4 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.88 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -45.06 -49.73 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 74.11 111.111 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.847 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 13.1 p30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.587 0.708 . . . . 71.32 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1009 ' ' PRO . . . . . 0.745 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.7 Cg_endo -69.74 -24.27 29.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 64.13 112.376 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.941 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.897 0.379 . . . . 74.43 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' A' ' 11' ' ' VAL . 4.8 t80 -49.26 -26.0 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.89 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.93 -57.71 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.932 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -52.34 -50.73 61.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.789 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 45.0 t80 -56.45 -70.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 63.13 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.471 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -46.57 -45.66 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 62.11 111.155 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.443 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.12 -47.15 72.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 74.24 111.117 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.5 HG21 ' O ' ' A' ' 28' ' ' ARG . 15.5 m -58.42 -53.26 60.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 73.53 111.158 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.566 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.0 tp -56.38 -53.98 51.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 72.2 110.897 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.81 -55.86 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.893 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 t -59.63 -31.48 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 73.01 110.848 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.804 ' O ' HD22 ' A' ' 20' ' ' LEU . 14.0 t80 -51.42 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 70.25 110.892 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -61.22 -37.07 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 75.15 110.914 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.97 -14.97 10.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 64.51 110.857 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.804 HD22 ' O ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.924 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.679 ' N ' HD11 ' A' ' 20' ' ' LEU . 3.9 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.837 0.351 . . . . 74.02 111.128 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 t -126.43 113.27 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.887 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.73 -56.53 23.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 70.41 112.484 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -44.38 -47.83 9.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 71.03 110.857 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' HG21 ' A' ' 13' ' ' THR . 10.3 mpt_? -54.83 -56.05 23.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.875 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.437 ' HA ' HD12 ' A' ' 32' ' ' LEU . 55.8 mt -49.44 -44.49 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 70.24 111.144 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.608 ' O ' HG22 ' A' ' 34' ' ' THR . 29.8 mttt -56.04 -57.11 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 74.33 110.911 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -50.61 -49.2 57.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.92 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 29' ' ' ILE . 4.0 mt -57.81 -51.4 69.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 60.42 110.943 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.403 ' HA ' HG12 ' A' ' 72' ' ' ILE . 4.0 m -56.69 -70.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.089 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.7 t -44.39 -44.65 8.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 64.43 111.115 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.467 ' N ' HG23 ' A' ' 34' ' ' THR . 20.3 t80 -58.02 -56.85 16.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.902 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.687 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.78 -57.8 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 63.53 111.094 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.671 HD11 ' CB ' ' A' ' 75' ' ' ALA . 1.3 mp -56.75 -48.72 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.15 110.92 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.4 -26.81 54.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.859 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.621 ' CB ' HD11 ' A' ' 42' ' ' ILE . 45.7 m-70 -129.66 83.76 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.862 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.53 HG22 HG22 ' A' ' 93' ' ' THR . 19.1 mm -78.4 -0.6 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.143 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -90.92 20.68 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 61.42 110.892 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.621 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.4 pt -149.45 27.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 55.12 111.11 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.3 OUTLIER -58.2 -33.96 69.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.894 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 16.2 t -59.01 -72.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.887 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.517 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -48.54 -45.99 38.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 72.03 110.902 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.789 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 50.7 mt -56.95 -69.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 71.41 111.134 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.799 HD12 HD11 ' A' ' 101' ' ' LEU . 34.9 mm -48.75 -47.4 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.114 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -57.82 -43.54 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.905 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.527 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.4 tp -57.59 -67.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.077 -0.51 . . . . 62.15 110.902 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.595 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.0 pt -44.79 -46.07 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 74.1 111.063 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.631 HD13 HG21 ' A' ' 104' ' ' VAL . 64.5 mt -56.34 -54.84 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 64.4 111.124 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -42.86 83.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.41 110.868 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.778 ' HA ' HD12 ' A' ' 56' ' ' LEU . 3.3 t80 -56.61 -38.43 72.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.896 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.683 ' OG ' HD22 ' A' ' 108' ' ' LEU . 27.0 p -63.66 -68.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 45.44 110.87 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.01 -26.96 63.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 75.32 110.891 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 53' ' ' TYR . 4.4 mt -42.38 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 64.44 110.901 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.692 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -94.86 169.93 8.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 71.31 110.91 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.497 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.4 Cg_endo -69.81 -158.08 0.05 OUTLIER 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.65 2.233 . . . . 64.44 112.383 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -29.53 -54.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 74.11 110.883 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' ASP . 10.7 p -34.09 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 64.04 110.904 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.692 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 4.6 m170 -60.65 -38.95 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 61.13 110.861 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -45.83 -61.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 71.33 110.859 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.423 ' HG ' HD11 ' A' ' 24' ' ' ILE . 23.1 tp -57.5 -56.98 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.902 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.22 -60.78 5.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.682 -0.771 . . . . 45.3 112.506 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.1 -47.96 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 52.33 110.843 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.668 HD22 ' CD2' ' A' ' 127' ' ' LEU . 1.3 mt -49.12 -50.44 37.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 52.44 110.937 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -56.27 -49.59 73.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.935 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.566 HD13 ' CD1' ' A' ' 14' ' ' LEU . 45.2 mt -56.88 -56.29 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 73.53 111.121 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.554 HG12 HD12 ' A' ' 50' ' ' ILE . 13.7 mt -56.51 -35.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 62.41 111.115 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.438 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -56.82 -55.66 31.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.867 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -55.88 28.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 55.04 110.852 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 33' ' ' THR . 74.9 mt -55.37 -45.89 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 70.22 111.134 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.13 -57.95 16.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.734 . . . . 63.42 112.481 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.31 -55.98 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 71.41 110.878 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.671 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -55.88 -53.21 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 64.01 111.072 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.687 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.3 m-30 -53.03 -47.11 68.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 71.54 110.875 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.487 ' HA ' HD11 ' A' ' 98' ' ' ILE . 2.6 tp -54.82 -53.78 50.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 73.13 110.924 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.2 -39.63 69.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 60.2 110.908 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.88 -66.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 63.43 110.846 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.4 t -55.71 -51.35 67.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 62.21 111.143 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' H ' HG23 ' A' ' 80' ' ' THR . 4.5 ptm180 -55.61 -29.75 59.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.906 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.11 -32.67 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.4 110.808 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -128.47 -63.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 64.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -168.86 159.15 9.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 52.35 110.885 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.52 110.878 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.139 0 CA-C-O 120.852 0.272 . . . . 41.34 112.342 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.44 -39.52 0.1 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 74.21 112.52 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.53 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -158.79 -177.38 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 71.23 111.113 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -41.17 -54.54 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 64.41 110.916 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.3 -66.3 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 50.33 111.118 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 38.5 m170 -51.67 -36.46 46.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 94' ' ' CYS . . . -55.48 -61.42 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 44.23 111.089 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' A' ' 77' ' ' LEU . 68.3 mt -52.34 -42.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 63.43 111.126 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -56.03 -53.56 55.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 54.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 m -55.48 -55.2 34.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.51 111.13 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.799 HD11 HD12 ' A' ' 47' ' ' ILE . 44.0 mt -51.26 -56.13 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 74.04 110.895 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.09 -14.85 26.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 34.05 112.482 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.569 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -94.15 -8.56 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 75.11 110.866 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.631 HG21 HD13 ' A' ' 51' ' ' ILE . 3.9 m -123.89 -14.64 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.24 111.119 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.845 HG13 HD12 ' A' ' 109' ' ' LEU . 2.4 tp -49.63 -30.26 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 72.23 111.134 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.57 -71.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.897 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -56.41 -39.9 73.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 64.12 110.873 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.683 HD22 ' OG ' ' A' ' 54' ' ' SER . 29.1 mt -56.78 -74.39 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.896 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.845 HD12 HG13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -51.21 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.952 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.4 p -35.56 -58.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 54.34 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -56.19 -51.97 66.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 62.21 110.86 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.65 -58.9 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 42.42 111.072 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.638 HG12 HG21 ' A' ' 124' ' ' ILE . 3.1 mt -53.0 -51.95 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 64.4 111.142 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.45 -68.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 63.4 111.116 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -47.97 -50.82 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.845 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 4.3 m -50.54 153.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 54.34 110.877 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -94.92 -169.91 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 62.32 110.916 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.642 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.6 tt0 -49.13 -51.66 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -62.94 -64.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 73.43 110.866 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 116' ' ' SER . 0.5 OUTLIER -49.38 -59.64 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.857 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.642 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.2 OUTLIER -45.81 -38.57 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 72.33 110.895 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -45.77 92.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 51.35 110.898 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -58.12 -48.75 79.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 62.42 110.861 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.638 HG21 HG12 ' A' ' 113' ' ' ILE . 64.5 mt -56.75 -48.58 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 70.43 111.153 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -52.78 40.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.84 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -47.99 76.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.05 110.866 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.668 ' CD2' HD22 ' A' ' 66' ' ' LEU . 21.0 tp -54.61 -45.6 73.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.558 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -55.93 -48.95 74.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 70.55 110.948 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.6 -48.89 71.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.852 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.3 mt -57.81 -41.34 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.32 111.12 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.419 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 33.2 m0 -54.88 -58.26 8.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.963 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -55.47 -52.7 62.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.829 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -54.84 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.879 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.1 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 71.35 110.9 -179.842 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.749 0.309 . . . . 74.2 111.079 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.813 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.96 -23.38 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 71.31 111.103 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -45.76 -51.09 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 71.2 110.831 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 33.2 t -67.34 108.19 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 55.03 110.85 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -50.19 -24.89 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 65.1 110.908 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 42.2 t -48.69 -31.31 6.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -54.9 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.867 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -47.83 -46.78 31.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 71.2 111.093 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 28.5 mmm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.3 110.917 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 5.6 p30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.645 0.736 . . . . 74.44 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1009 ' ' PRO . . . . . 0.483 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.4 Cg_endo -69.85 -15.37 36.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 72.35 112.326 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 11.5 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.935 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.848 0.356 . . . . 74.42 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -47.77 -27.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 74.5 110.9 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -50.01 -56.53 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 75.12 110.932 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.32 -52.51 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.32 110.861 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 33.1 t80 -55.53 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.6 -45.01 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 51.52 111.116 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.425 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.08 -49.46 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 53.22 111.088 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.49 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.8 m -57.4 -53.71 55.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 72.53 111.14 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 14' ' ' LEU . 11.6 tp -56.48 -52.62 64.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 70.02 110.919 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.17 -57.15 7.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.859 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -55.5 -32.03 62.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 63.34 110.892 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.553 ' CE1' HD13 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -58.4 -61.58 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.876 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -55.41 -35.47 65.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 62.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -57.11 -23.1 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 74.44 110.889 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.945 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.553 HD13 ' CE1' ' A' ' 17' ' ' PHE . 10.3 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.878 0.37 . . . . 50.14 111.164 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.66 124.44 37.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.833 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.61 -37.79 69.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.772 -0.728 . . . . 71.42 112.459 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 t -51.17 -43.89 61.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 72.55 110.851 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.49 ' O ' HG21 ' A' ' 13' ' ' THR . 8.5 mpt_? -54.63 -63.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 72.42 110.9 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 32' ' ' LEU . 79.0 mt -50.32 -40.89 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.02 111.163 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.668 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.52 -59.41 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.912 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -51.83 -47.06 64.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.903 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 29' ' ' ILE . 6.6 mt -57.61 -53.79 54.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 71.41 110.903 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.404 HG23 ' HA ' ' A' ' 72' ' ' ILE . 7.6 m -57.6 -71.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 72.44 111.122 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.1 t -40.82 -44.97 2.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 61.31 111.163 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.485 ' N ' HG23 ' A' ' 34' ' ' THR . 24.3 t80 -59.39 -57.42 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.862 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.668 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.15 -57.33 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 54.34 111.079 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.868 HD21 ' HB1' ' A' ' 75' ' ' ALA . 2.3 mp -56.6 -47.43 79.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 73.51 110.97 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.44 -25.18 49.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 52.32 110.851 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.669 ' HB3' HD11 ' A' ' 42' ' ' ILE . 2.5 t-160 -131.42 85.31 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 54.44 110.85 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 40' ' ' ILE . 25.4 mm -80.06 2.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 61.14 111.13 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.83 19.65 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 73.44 110.868 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.669 HD11 ' HB3' ' A' ' 39' ' ' HIS . 2.7 pt -149.85 35.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.44 111.143 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.716 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.7 pp20? -59.36 -38.0 79.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 71.42 110.851 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 t -57.52 -74.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 63.31 110.854 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.573 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -44.17 -48.65 9.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 65.24 110.923 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.8 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 90.0 mt -56.4 -73.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.24 111.138 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.727 HD12 HD11 ' A' ' 101' ' ' LEU . 42.2 mm -44.78 -49.34 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.03 111.147 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 m -56.99 -43.39 81.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 61.43 110.828 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.536 HD23 ' CE2' ' A' ' 10' ' ' PHE . 17.8 tp -57.26 -67.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.562 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.0 pt -46.44 -45.75 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 74.44 111.134 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.445 HD12 HG22 ' A' ' 47' ' ' ILE . 70.9 mt -55.23 -59.3 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 63.4 111.168 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -51.09 70.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 63.43 110.85 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -48.55 -38.85 21.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.919 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.565 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 11.2 p -62.38 -74.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 74.52 110.875 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.565 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.6 ptt85 -44.48 -34.21 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 71.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 53' ' ' TYR . 34.3 mt -62.87 -78.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.916 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.456 ' HB2' ' HB3' ' A' ' 61' ' ' HIS . 60.1 m -47.78 149.35 2.28 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.643 0.735 . . . . 61.11 110.882 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.9 Cg_endo -69.77 -152.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 74.13 112.307 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -37.77 -45.39 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.925 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -43.86 -41.95 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 70.31 110.82 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.535 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -58.11 -47.03 84.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.833 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.636 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.7 mtmp? -41.72 -68.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 65.41 110.894 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.537 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 9.0 tp -60.32 -60.66 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.952 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.18 -73.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.676 -0.773 . . . . 55.22 112.489 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.542 ' O ' HD12 ' A' ' 69' ' ' ILE . 46.7 t -36.89 -59.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 74.11 110.902 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.679 ' CD2' HD23 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -41.42 -54.32 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 54.32 110.894 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 11.0 m-85 -57.39 -46.83 83.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.948 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.5 mt -55.6 -55.69 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 72.51 111.116 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 65' ' ' SER . 2.9 mt -55.96 -37.38 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.34 111.16 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.23 -56.11 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 74.33 110.888 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 p -55.82 -64.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.875 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.404 ' HA ' HG23 ' A' ' 33' ' ' THR . 62.1 mt -51.99 -45.83 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 74.01 111.14 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.63 -62.19 6.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.747 -0.74 . . . . 72.21 112.479 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -49.11 -55.1 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 70.21 110.816 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.868 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -54.91 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.52 111.089 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.685 ' O ' HG22 ' A' ' 80' ' ' THR . 2.4 m-30 -47.18 -50.07 21.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.922 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.789 HD22 HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -51.49 -63.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.938 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -40.49 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.887 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.63 ' HG3' HD23 ' A' ' 37' ' ' LEU . 9.6 mm-40 -55.2 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 72.4 110.882 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.6 t -55.16 -36.18 65.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 70.55 111.136 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -55.44 -41.57 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 63.12 110.855 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -51.29 -29.69 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.866 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -108.13 -76.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.911 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t 179.92 139.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 63.25 110.863 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.33 110.933 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.137 0 CA-C-O 120.822 0.259 . . . . 74.44 112.388 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.32 -29.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 52.43 112.467 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.521 ' HA ' HG22 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -147.69 -178.46 6.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 55.22 111.189 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 68.0 m -48.41 -43.97 34.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 70.53 110.925 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' CYS . . . -37.54 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 52.4 111.08 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -52.14 -38.8 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.858 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -53.1 -57.38 10.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 52.5 111.134 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.789 HD13 HD22 ' A' ' 77' ' ' LEU . 63.8 mt -56.34 -48.75 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 64.51 111.147 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -56.36 -56.64 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.872 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.407 ' O ' HG13 ' A' ' 104' ' ' VAL . 54.1 m -51.15 -55.01 19.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 70.1 111.153 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.727 HD11 HD12 ' A' ' 47' ' ' ILE . 37.5 mt -50.03 -57.95 6.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 71.11 110.927 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.28 -14.13 32.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 44.24 112.522 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.521 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -90.68 -13.85 33.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 55.31 110.901 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.521 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.1 m -118.44 -20.8 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 65.42 111.112 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.817 HG13 HD12 ' A' ' 109' ' ' LEU . 2.2 tp -50.87 -29.39 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 35.05 111.138 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.459 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.56 -69.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.04 110.934 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -56.16 -39.51 72.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 105' ' ' ILE . 84.2 mt -55.06 -69.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 64.42 110.906 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.817 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -55.39 -63.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 61.33 110.871 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 109' ' ' LEU . 78.0 p -36.64 -67.07 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.87 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.19 -45.08 61.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 75.35 110.841 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.504 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.55 -59.73 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 60.41 111.084 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.7 mt -50.9 -48.28 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 52.13 111.128 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.08 -69.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 73.35 111.124 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -30.32 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.913 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -68.6 147.58 51.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.861 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -94.47 -167.6 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 43.25 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.623 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.5 tt0 -50.5 -51.63 45.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 55.22 110.919 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.82 -62.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -50.67 -59.95 3.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 72.11 110.856 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.623 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -46.53 -37.86 8.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 72.15 110.843 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -46.51 89.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.874 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -58.14 -51.49 69.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 61.12 110.897 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.62 HG12 HD13 ' A' ' 66' ' ' LEU . 48.9 mt -56.24 -49.95 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.42 111.141 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -52.32 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.887 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.18 -51.47 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 65.25 110.86 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.679 HD23 ' CD2' ' A' ' 66' ' ' LEU . 50.9 tp -52.66 -44.34 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 60.52 110.92 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.755 HD11 HG13 ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.53 -50.63 71.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.902 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.58 -50.38 60.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 70.03 110.867 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.4 mt -57.0 -42.87 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 62.03 111.197 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.41 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 41.8 m0 -54.03 -53.11 57.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.956 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.18 -54.44 45.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 71.31 110.914 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -55.72 -74.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 70.34 110.833 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.7 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.872 -179.731 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.774 0.321 . . . . 74.34 111.122 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.755 HG13 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.9 -24.79 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 75.31 111.107 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.63 -51.38 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.896 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.2 p -58.23 99.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 65.11 110.874 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -45.13 -32.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 71.42 110.889 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 49.8 t -44.73 -31.52 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 70.33 110.899 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -58.45 -95.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 65.23 110.922 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -38.52 -41.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 41.21 111.11 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 34.9 mmm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 65.22 110.894 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1008 ' ' ASN . . . . . 0.408 ' OD1' ' HD2' ' B' 1009 ' ' PRO . 2.2 t-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.616 0.722 . . . . 54.33 110.877 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1009 ' ' PRO . . . . . 0.485 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.9 Cg_endo -69.78 -23.18 31.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.254 . . . . 71.13 112.354 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 26.4 p90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 63.21 110.924 -179.885 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.828 0.347 . . . . 64.51 110.894 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -48.19 -27.32 2.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -50.2 -56.81 9.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 72.13 110.916 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -53.55 -52.14 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 73.03 110.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.802 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 37.9 t80 -56.18 -68.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.903 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.43 -45.76 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.146 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.436 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -52.66 -51.17 61.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.03 111.095 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 28' ' ' ARG . 28.7 m -57.37 -52.99 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 61.31 111.169 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 15.8 tp -55.36 -54.68 40.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 71.13 110.916 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.78 -56.58 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.903 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 t -56.15 -30.91 62.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 63.25 110.82 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.426 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -56.1 -64.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 63.24 110.899 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -56.5 -37.16 70.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.943 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -55.75 -26.65 46.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.875 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 17' ' ' PHE . 17.8 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.923 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.477 HD11 HD23 ' A' ' 63' ' ' LEU . 4.1 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.836 0.351 . . . . 72.35 111.111 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.12 115.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.51 110.855 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.88 -50.18 51.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 73.12 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -49.29 -52.57 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 74.3 110.817 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.533 ' O ' HG21 ' A' ' 13' ' ' THR . 3.4 mpt_? -55.37 -64.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.922 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 32' ' ' LEU . 96.9 mt -47.91 -42.58 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.41 111.152 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.66 ' O ' HG22 ' A' ' 34' ' ' THR . 23.8 mtmt -55.38 -56.79 16.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 72.41 110.927 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -51.73 -47.72 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.35 110.926 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD23 ' CD1' ' A' ' 10' ' ' PHE . 8.3 mt -57.77 -52.45 65.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 61.53 110.907 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' ' 72' ' ' ILE . 7.3 m -57.32 -71.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 50.42 111.131 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.4 t -41.8 -44.91 3.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.168 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.465 ' N ' HG23 ' A' ' 34' ' ' THR . 21.4 t80 -58.25 -55.8 30.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.915 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.694 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.61 -57.38 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 74.24 111.12 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.691 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.5 mp -57.38 -46.7 83.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 61.01 110.923 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.38 -28.07 40.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 75.45 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.685 ' CB ' HD11 ' A' ' 42' ' ' ILE . 27.9 m-70 -130.6 85.05 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.877 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 40' ' ' ILE . 45.9 mm -76.37 -1.43 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.41 111.158 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -92.72 26.23 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.872 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.687 HG22 ' CE ' ' A' ' 45' ' ' LYS . 1.8 pt -155.15 32.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.53 111.126 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -62.84 -42.06 99.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.906 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.4 t -51.67 -69.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 44.4 110.881 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.687 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.82 -49.03 50.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.845 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.802 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 82.9 mt -55.16 -69.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 70.4 111.155 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.754 HD12 HD11 ' A' ' 101' ' ' LEU . 42.3 mm -45.84 -49.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 64.03 111.134 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -56.48 -41.92 77.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 54.51 110.854 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.521 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.2 tp -58.16 -66.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 61.21 110.942 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.8 pt -47.64 -44.25 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 73.44 111.109 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.5 mt -55.47 -62.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 52.0 111.138 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.02 -48.61 75.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.849 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.458 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -51.43 -38.81 55.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.918 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.584 ' OG ' HD22 ' A' ' 108' ' ' LEU . 12.9 p -62.7 -72.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 54.2 110.823 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.553 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -43.35 -34.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 63.44 110.891 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 53' ' ' TYR . 27.3 mt -57.68 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.924 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.566 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -51.3 141.09 22.6 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.624 0.726 . . . . 64.13 110.892 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -98.82 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.672 2.248 . . . . 74.24 112.355 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.6 OUTLIER -68.63 -53.39 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.903 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER -38.14 -50.08 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.863 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.48 -52.04 67.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.842 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.643 ' O ' HD12 ' A' ' 66' ' ' LEU . 7.1 mtmp? -36.05 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.925 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 24' ' ' ILE . 8.3 tp -62.68 -55.83 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.53 110.897 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -49.48 -78.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.721 . . . . 50.31 112.459 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' GLY . 32.0 t -36.75 -56.85 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 74.54 110.905 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 62' ' ' LYS . 5.5 mt -41.5 -56.38 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 73.02 110.917 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.402 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 7.2 m-85 -57.05 -45.65 83.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.914 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.6 mt -55.76 -56.13 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 54.31 111.109 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.6 mt -55.87 -36.99 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 63.22 111.139 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.432 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -58.3 -56.7 18.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.888 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -55.35 -63.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 72.33 110.877 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.408 ' HA ' HG23 ' A' ' 33' ' ' THR . 61.8 mt -52.5 -44.19 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 64.1 111.128 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.71 -61.41 7.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 42.24 112.501 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -53.69 21.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 70.52 110.865 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.691 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -56.22 -59.6 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.12 111.08 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.694 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.6 m-30 -49.16 -49.26 43.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 73.45 110.946 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.7 tp -52.07 -60.92 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 70.21 110.925 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -41.2 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.851 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.59 ' HG3' HD23 ' A' ' 37' ' ' LEU . 9.8 mm-40 -55.28 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.867 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 76' ' ' TYR . 4.9 t -54.97 -42.7 72.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 65.33 111.156 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -55.49 -35.39 65.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.04 110.867 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.6 t -50.99 -38.05 48.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.895 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -114.37 -75.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -170.11 163.81 9.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.12 110.871 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.896 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.113 0 CA-C-O 120.796 0.248 . . . . 62.22 112.374 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.39 -33.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 71.11 112.484 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.475 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -137.21 162.86 32.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 54.55 111.119 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' THR . 3.4 m -34.39 -57.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 61.04 110.842 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' CYS . . . -34.86 -72.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.15 111.14 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 3.3 t-80 -54.89 -42.05 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.871 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 43' ' ' GLU . . . -49.98 -58.03 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 63.32 111.124 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 71.9 mt -55.33 -47.44 77.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 72.34 111.131 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -55.8 -54.69 41.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.867 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.7 m -52.36 -55.87 18.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 73.3 111.165 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.754 HD11 HD12 ' A' ' 47' ' ' ILE . 41.2 mt -50.14 -58.41 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.911 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.59 -15.11 24.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 42.41 112.518 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -87.77 -12.28 45.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 74.53 110.922 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.574 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -122.31 -18.87 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 62.32 111.166 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.825 HG13 HD12 ' A' ' 109' ' ' LEU . 3.5 tp -49.19 -30.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 75.03 111.129 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.483 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -48.96 -69.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.45 110.868 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.38 -39.55 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.872 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.584 HD22 ' OG ' ' A' ' 54' ' ' SER . 50.0 mt -55.88 -71.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.917 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.825 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -53.9 -65.86 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 61.43 110.899 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 109' ' ' LEU . 88.1 p -34.81 -58.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 63.04 110.855 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -54.72 -55.18 32.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 73.51 110.904 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.487 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -48.12 -56.37 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.23 111.117 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.477 HG12 HG21 ' A' ' 124' ' ' ILE . 2.1 mt -55.46 -42.72 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.23 111.08 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.34 -69.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.13 111.106 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -55.23 -46.92 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 m -46.04 146.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 75.01 110.86 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -98.76 -171.86 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 65.11 110.943 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.611 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 6.9 mp0 -44.19 -51.97 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 62.33 110.941 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.66 -65.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 72.51 110.887 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -49.21 -60.46 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.835 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.63 -38.0 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.24 110.884 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -47.1 87.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 71.01 110.88 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -57.44 -50.28 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 63.15 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.554 HG12 HD13 ' A' ' 66' ' ' LEU . 17.0 mt -56.83 -49.26 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.138 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -50.52 -50.8 52.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.858 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.2 ttm -56.18 -51.5 67.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 60.15 110.903 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.492 HD13 ' HG3' ' B' 1009 ' ' PRO . 18.8 tp -53.67 -44.13 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 52.02 110.937 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.741 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.39 -49.58 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 63.34 110.91 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.31 -49.91 66.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.861 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.83 -42.47 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 71.14 111.149 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.608 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 17.1 m0 -55.25 -56.46 19.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.949 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -55.03 -53.21 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.886 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -54.27 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 61.44 110.897 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 71.0 110.848 -179.786 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.79 0.329 . . . . 61.44 111.094 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.741 ' CB ' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -63.45 -27.7 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.35 111.137 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.16 -54.66 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.883 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.2 t -53.58 102.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.85 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -48.3 -27.21 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 74.4 110.896 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 47.1 t -51.24 -30.17 16.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 70.21 110.898 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -55.09 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.02 110.851 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -48.72 -45.61 39.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 72.04 111.07 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 6.4 mmm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.882 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 39.3 t30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.636 0.732 . . . . 64.15 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1009 ' ' PRO . . . . . 0.492 ' HG3' HD13 ' A' ' 127' ' ' LEU . 53.8 Cg_endo -69.73 -8.44 23.62 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 62.44 112.347 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 62.33 110.897 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.881 0.372 . . . . 62.12 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.499 ' CE2' HG23 ' A' ' 11' ' ' VAL . 3.6 t80 -48.05 -26.45 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 73.51 110.883 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -46.71 -57.28 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 63.22 110.919 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -53.18 -51.71 61.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.886 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.755 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 33.3 t80 -55.9 -70.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 65.41 110.853 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.499 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -47.32 -44.93 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 54.05 111.108 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.19 -49.03 67.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 70.23 111.094 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.531 HG21 ' O ' ' A' ' 28' ' ' ARG . 23.7 m -57.8 -53.02 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 45.31 111.148 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HA ' HD12 ' A' ' 14' ' ' LEU . 11.9 tp -56.2 -53.4 57.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.911 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.07 -59.72 3.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.898 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 t -57.28 -29.18 63.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 60.32 110.868 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.935 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -54.99 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 75.13 110.907 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -57.83 -36.17 71.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 73.55 110.905 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.2 -14.58 11.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 74.53 110.865 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 63.43 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.413 ' N ' HD11 ' A' ' 20' ' ' LEU . 3.2 mp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.876 0.369 . . . . 42.32 111.117 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -158.96 110.73 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.888 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.21 -53.33 35.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 75.13 112.487 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m -46.46 -53.18 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 64.32 110.836 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.531 ' O ' HG21 ' A' ' 13' ' ' THR . 10.0 mpt_? -54.18 -59.01 5.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 72.05 110.889 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.438 ' HA ' HD12 ' A' ' 32' ' ' LEU . 58.5 mt -49.53 -43.02 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 61.43 111.127 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.626 ' O ' HG22 ' A' ' 34' ' ' THR . 16.3 mttt -55.53 -59.75 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 70.34 110.876 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -48.22 52.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 62.43 110.896 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.513 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.4 mt -57.9 -53.05 62.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.916 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.8 m -57.27 -71.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 71.21 111.122 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.5 t -41.45 -44.95 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 52.45 111.138 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.491 ' N ' HG23 ' A' ' 34' ' ' THR . 20.6 t80 -58.98 -56.77 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 63.31 110.938 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.59 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.53 -57.61 5.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 73.31 111.094 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.816 HD21 ' HB1' ' A' ' 75' ' ' ALA . 2.7 mp -57.33 -48.55 78.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.942 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -57.05 -24.08 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.859 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.611 ' CB ' HD11 ' A' ' 42' ' ' ILE . 34.7 m80 -132.95 84.56 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.847 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.574 ' CG2' HG22 ' A' ' 93' ' ' THR . 21.7 mm -78.05 -2.29 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 53.42 111.153 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -89.26 24.86 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.874 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.657 HG22 ' CE ' ' A' ' 45' ' ' LYS . 1.4 pt -152.31 29.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.13 111.164 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.5 pp20? -57.94 -37.36 73.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 75.24 110.9 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -57.78 -73.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 44.23 110.853 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.657 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.77 -46.24 20.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.24 110.955 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.755 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 85.2 mt -56.56 -71.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.54 111.136 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.762 HD12 HD11 ' A' ' 101' ' ' LEU . 40.1 mm -47.55 -47.69 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.131 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.9 m -57.16 -43.6 82.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.844 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.506 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.4 tp -57.78 -67.97 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 75.54 110.948 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.59 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.9 pt -44.89 -45.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 61.42 111.177 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.35 -55.81 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 54.43 111.133 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -42.75 80.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 51.31 110.89 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.755 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.8 t80 -56.6 -38.75 72.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.915 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.589 ' OG ' HD22 ' A' ' 108' ' ' LEU . 37.2 p -63.4 -70.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 75.34 110.903 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.488 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -56.42 -26.69 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 74.13 110.861 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 53' ' ' TYR . 4.3 mt -44.05 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 74.3 110.924 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.685 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -94.33 169.49 9.69 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.603 0.716 . . . . 61.43 110.878 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.5 Cg_endo -69.77 -157.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 70.21 112.316 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' PRO . 56.7 t0 -30.02 -53.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.852 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' ASP . 65.5 m -34.0 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 71.11 110.89 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.685 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 7.2 m170 -59.89 -36.84 77.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 53.32 110.833 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.0 mmtt -47.71 -66.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 71.04 110.899 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.3 tp -52.36 -56.89 11.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 54.24 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.33 -46.59 35.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 62.14 112.46 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -53.55 56.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 61.14 110.86 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.648 HD12 HG12 ' A' ' 124' ' ' ILE . 6.6 mt -44.74 -51.83 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 75.2 110.926 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -57.14 -50.07 73.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 62.33 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.1 mt -57.13 -55.44 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 64.01 111.156 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -56.7 -35.39 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.51 111.097 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -56.65 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.831 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -57.27 13.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 63.02 110.892 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.5 -45.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.21 111.133 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.48 -60.55 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 75.21 112.452 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -49.61 -54.35 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 72.41 110.863 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.816 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -55.67 -59.34 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.42 111.126 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.59 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.2 m-30 -49.26 -48.69 45.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 71.51 110.916 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' HA ' HD11 ' A' ' 98' ' ' ILE . 5.8 tp -52.83 -61.4 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 72.01 110.917 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.64 -40.36 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.895 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.648 ' HG3' HD23 ' A' ' 37' ' ' LEU . 14.6 mm-40 -55.18 -72.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.898 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.0 t -55.38 -42.98 74.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 45.4 111.157 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -53.98 -37.09 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 62.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -51.9 -29.84 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 54.52 110.845 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -116.34 -75.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 75.43 110.884 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.56 139.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.892 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.885 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.119 0 CA-C-O 120.829 0.262 . . . . 75.11 112.315 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.26 -43.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 72.54 112.453 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.574 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -157.79 -174.99 5.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 51.04 111.118 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.436 ' SG ' HD12 ' A' ' 40' ' ' ILE . 98.0 m -44.58 -36.81 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.847 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.27 -70.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.079 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -54.02 -37.22 63.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.7 -56.12 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 62.42 111.092 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' A' ' 77' ' ' LEU . 73.9 mt -56.17 -51.5 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.22 111.11 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -56.67 -57.38 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.922 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 55.3 m -48.78 -57.78 5.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 72.12 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.762 HD11 HD12 ' A' ' 47' ' ' ILE . 54.1 mt -49.69 -59.23 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 64.21 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.87 -15.07 26.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 64.33 112.465 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.559 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -88.96 -13.31 39.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 72.34 110.841 -179.814 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.559 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.0 m -120.58 -18.55 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 64.14 111.155 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.5 tp -50.45 -29.16 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.4 111.171 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.933 ' HA ' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -51.95 -71.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 55.11 110.918 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.72 -40.21 75.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 63.23 110.866 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.589 HD22 ' OG ' ' A' ' 54' ' ' SER . 31.5 mt -54.09 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.934 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.046 HD22 HD11 ' A' ' 128' ' ' LEU . 4.9 mt -55.12 -71.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.901 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 73.3 p -35.52 -57.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 54.11 110.851 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -54.57 -52.67 61.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 74.41 110.856 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.23 -49.92 40.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 72.55 111.147 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 109' ' ' LEU . 3.0 mt -56.1 -50.41 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 61.23 111.141 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.504 ' HB3' ' HE2' ' A' ' 115' ' ' LYS . . . -57.33 -62.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 73.43 111.099 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -55.34 -24.23 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.882 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.5 m -85.05 159.58 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.872 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.47 -175.76 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.864 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.599 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 41.7 tt0 -42.22 -51.14 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.909 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.2 -71.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 64.15 110.921 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -46.49 -59.12 3.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -44.96 -38.94 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.913 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -62.32 -44.02 97.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 75.34 110.854 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -57.67 -47.84 81.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.865 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.648 HG12 HD12 ' A' ' 66' ' ' LEU . 55.5 mt -58.66 -46.69 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.51 111.121 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.12 -57.17 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.863 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.6 ptm -56.93 -40.67 76.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 71.05 110.904 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.511 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 43.2 tp -54.17 -52.69 60.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 61.44 110.918 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 1.046 HD11 HD22 ' A' ' 109' ' ' LEU . 8.0 mt -55.83 -45.29 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.915 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -52.95 -51.41 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.842 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.08 -40.26 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 70.43 111.138 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.511 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 37.6 m0 -53.18 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.924 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.9 -37.41 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 41.41 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -55.87 -64.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.859 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.88 -179.804 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.933 ' HB2' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.325 . . . . 73.42 111.123 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.71 HG21 HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -66.82 -27.79 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 62.12 111.203 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 145' ' ' ILE . 5.8 ttt180 -34.67 -54.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 70.45 110.893 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 91.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 70.23 110.873 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.39 -34.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 71.35 110.933 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 1.8 t -44.4 -34.51 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.866 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 151' ' ' ALA . 18.8 m-85 -58.96 -94.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 64.13 110.879 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 150' ' ' PHE . . . -34.58 -45.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 42.35 111.099 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.883 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.57 0.7 . . . . 73.12 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -14.85 36.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 72.11 112.338 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.15 110.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.844 0.354 . . . . 73.21 110.868 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CE2' HG23 ' A' ' 11' ' ' VAL . 1.3 t80 -56.23 -14.09 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.893 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -53.26 -68.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 72.2 110.938 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.521 HD22 ' HD2' ' A' ' 35' ' ' TYR . 4.1 p-10 -52.68 -47.84 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.858 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.76 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 52.3 t80 -53.59 -70.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 75.24 110.9 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.54 HG23 ' CE2' ' A' ' 7' ' ' PHE . 1.2 t -51.43 -43.13 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 64.23 111.122 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.438 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.99 -48.09 70.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 34.43 111.109 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.551 HG21 ' O ' ' A' ' 28' ' ' ARG . 29.4 m -57.73 -53.29 59.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 64.31 111.126 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' CD1' HD13 ' A' ' 68' ' ' ILE . 14.2 tp -55.55 -50.92 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 63.13 110.911 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.91 -53.72 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 64.51 110.929 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -57.7 -30.39 65.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 55.35 110.862 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.687 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -58.08 -61.46 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.839 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' CB ' ' CE1' ' A' ' 61' ' ' HIS . 12.8 pttt -54.35 -36.83 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 73.21 110.928 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.14 -28.11 56.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 61.15 110.882 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 17' ' ' PHE . 14.2 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.94 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.687 HG23 ' CZ ' ' A' ' 17' ' ' PHE . 6.7 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.842 0.353 . . . . 54.11 111.07 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -100.33 127.43 46.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.843 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.77 -27.23 49.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 73.1 112.488 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.47 -54.2 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 71.52 110.865 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.551 ' O ' HG21 ' A' ' 13' ' ' THR . 10.4 mpt_? -50.56 -52.66 36.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.875 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.5 HG23 ' HA ' ' A' ' 68' ' ' ILE . 80.6 mt -50.99 -46.95 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 64.42 111.168 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' HG22 ' A' ' 34' ' ' THR . 17.3 mtmt -55.24 -52.1 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.878 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -51.22 -49.96 60.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 72.4 110.899 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.1 mt -58.16 -47.59 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.914 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.528 HG23 ' HA ' ' A' ' 72' ' ' ILE . 2.9 m -57.75 -69.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 72.4 111.168 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 35' ' ' TYR . 9.1 t -43.01 -45.11 4.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 33.45 111.163 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.521 ' HD2' HD22 ' A' ' 9' ' ' ASN . 13.8 t80 -58.16 -57.52 12.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 71.01 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.69 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.81 -56.86 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 73.31 111.105 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.55 HD23 ' HG3' ' A' ' 79' ' ' GLU . 3.9 mp -57.39 -47.81 80.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 62.05 110.917 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -56.31 -24.81 45.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.845 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.668 ' HB2' HD11 ' A' ' 42' ' ' ILE . 30.1 m-70 -132.89 85.11 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.854 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.522 HG22 HG22 ' A' ' 93' ' ' THR . 19.4 mm -77.99 -1.38 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 51.21 111.108 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -90.41 21.57 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 44.3 110.918 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.4 pt -149.27 27.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 60.03 111.091 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.699 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.6 pm0 -57.18 -35.69 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.892 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.4 t -58.65 -73.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.3 110.838 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.46 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.18 -46.63 23.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.921 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.76 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 68.7 mt -55.98 -72.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.05 111.127 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.709 HD12 HD11 ' A' ' 101' ' ' LEU . 40.8 mm -47.39 -45.05 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 63.54 111.11 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -59.19 -43.09 92.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 70.22 110.838 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.33 -65.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 42.25 110.915 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.58 HD12 HG12 ' A' ' 69' ' ' ILE . 6.8 pt -48.05 -46.38 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.3 111.132 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.434 HD12 HG22 ' A' ' 47' ' ' ILE . 74.6 mt -56.68 -58.3 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 64.32 111.132 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.36 -47.8 75.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.831 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.743 ' HA ' HD12 ' A' ' 56' ' ' LEU . 3.0 t80 -54.2 -35.34 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.869 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 t -62.22 -75.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 54.23 110.848 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -26.52 59.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 63.1 110.878 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 53' ' ' TYR . 3.8 mt -40.99 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 72.14 110.89 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.657 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -94.32 170.16 8.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 53.21 110.903 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 59' ' ' ASP . 54.1 Cg_endo -69.73 -159.11 0.05 OUTLIER 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.694 2.263 . . . . 74.42 112.358 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -28.96 -53.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.883 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 59' ' ' ASP . 15.8 t -30.67 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.841 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.657 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.5 m80 -61.97 -47.16 86.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 71.05 110.904 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' A' ' 112' ' ' ALA . 11.4 mttp -34.2 -64.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 71.14 110.907 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 13.5 tp -57.91 -54.99 40.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.901 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.88 -59.14 7.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 74.51 112.475 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.8 p -48.75 -53.57 18.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 73.0 110.897 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.59 HD12 HG12 ' A' ' 124' ' ' ILE . 0.5 OUTLIER -43.18 -54.68 4.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.488 . . . . 53.53 110.944 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.543 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 13.8 m-85 -56.38 -48.85 76.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 72.32 110.917 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.5 ' HA ' HG23 ' A' ' 29' ' ' ILE . 8.2 mt -57.01 -56.44 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 74.3 111.152 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.58 HG12 HD12 ' A' ' 50' ' ' ILE . 56.0 mt -55.54 -37.01 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.084 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -56.22 -57.65 11.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.912 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 t -55.69 -54.15 47.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 63.11 110.835 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.528 ' HA ' HG23 ' A' ' 33' ' ' THR . 63.1 mt -55.09 -46.58 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 73.23 111.126 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.29 -57.82 16.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 72.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -55.99 12.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.21 110.893 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -56.13 -54.89 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.01 111.115 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.69 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.1 m-30 -51.26 -50.24 59.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.01 110.916 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp -51.27 -58.08 7.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 52.31 110.875 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -42.51 68.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.863 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.55 ' HG3' HD23 ' A' ' 37' ' ' LEU . 27.8 mm-40 -55.59 -71.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.884 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.2 t -54.48 -45.34 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.125 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.413 ' N ' HG23 ' A' ' 80' ' ' THR . 52.7 ttt180 -52.05 -37.66 54.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 70.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.21 -30.22 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 72.45 110.863 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -118.77 -76.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.23 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.8 t -168.85 158.45 8.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.818 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.1 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 64.1 110.867 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.444 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.3 Cg_endo . . . . . 0 C--O 1.23 0.116 0 CA-C-O 120.81 0.254 . . . . 61.44 112.315 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.555 ' O ' HG23 ' A' ' 93' ' ' THR . . . 177.54 -31.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 73.23 112.488 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 92' ' ' GLY . 0.6 OUTLIER -166.07 -175.22 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.299 . . . . 54.51 111.199 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.19 -52.02 7.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 73.54 110.887 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.62 -66.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.33 111.127 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 79.8 m-70 -52.65 -39.65 62.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 61.31 110.849 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.699 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -54.34 -58.01 9.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.149 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 68.3 mt -55.02 -45.08 76.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.25 111.163 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -55.82 -52.06 65.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.933 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.8 m -55.3 -51.96 65.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 71.21 111.114 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.709 HD11 HD12 ' A' ' 47' ' ' ILE . 40.2 mt -53.1 -56.68 14.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.914 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -57.83 -17.71 29.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 74.03 112.489 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.555 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -86.32 -14.4 43.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 73.41 110.851 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.555 HG13 ' HG2' ' A' ' 103' ' ' GLU . 4.3 m -117.36 -18.75 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.35 111.137 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.6 tp -51.99 -26.67 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.02 111.11 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.899 ' HA ' ' HB2' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -55.49 -72.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 54.22 110.918 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -56.16 -42.29 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.0 mt -55.11 -60.71 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 70.22 110.915 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.661 HD13 HD21 ' A' ' 128' ' ' LEU . 15.0 mt -53.79 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 54.21 110.899 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 109' ' ' LEU . 7.5 p -37.17 -63.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 54.43 110.906 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -49.39 -50.47 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 63.01 110.927 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.484 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -47.75 -56.91 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.51 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -49.08 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.158 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.19 -66.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 25.35 111.091 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -45.84 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.877 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.508 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 73.3 p -60.59 163.11 5.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.842 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -100.1 178.06 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 74.44 110.877 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.611 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 0.9 OUTLIER -39.05 -52.63 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.92 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.89 -72.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 62.25 110.866 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.508 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 16.0 m170 -45.44 -58.66 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 64.11 110.859 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.52 -39.37 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 65.0 110.922 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -60.9 -44.55 96.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 70.12 110.893 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -57.17 -48.34 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 73.21 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.59 HG12 HD12 ' A' ' 66' ' ' LEU . 24.1 mt -56.91 -49.38 79.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 65.42 111.176 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -52.22 53.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.869 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.9 tpp -55.68 -49.53 72.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 52.45 110.904 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.637 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 20.7 tp -51.32 -45.73 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.891 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.661 HD21 HD13 ' A' ' 109' ' ' LEU . 5.2 mt -55.71 -49.01 74.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.948 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -51.08 62.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.818 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.8 mt -57.86 -44.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.44 111.141 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.637 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 17.6 m0 -51.22 -58.38 6.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.894 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.5 -47.25 76.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 72.25 110.908 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -55.27 -54.65 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 62.45 110.879 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.899 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.899 ' HB2' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.708 0.289 . . . . 71.45 111.078 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.652 HG21 HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -68.85 -21.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 71.33 111.143 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -39.09 -54.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.893 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 p -74.3 89.43 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 53.21 110.874 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -40.33 -38.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 72.55 110.943 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 4.0 m -39.18 -41.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.878 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -57.71 -87.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.847 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -43.5 -48.14 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 64.33 111.118 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 65.15 110.891 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.593 0.711 . . . . 75.41 110.936 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -7.68 21.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 51.35 112.382 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.927 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.86 0.362 . . . . 70.21 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -56.82 -32.85 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.54 110.899 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -57.59 -55.04 40.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.7 -53.43 54.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 53.3 110.861 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.767 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 32.9 t80 -54.59 -69.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 64.41 110.891 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -48.38 -45.42 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 51.3 111.147 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.427 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -51.44 -50.62 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.127 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 28' ' ' ARG . 28.1 m -56.69 -53.5 57.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 72.12 111.187 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 53' ' ' TYR . 9.8 tp -55.7 -53.62 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 44.43 110.87 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.04 -59.92 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 72.43 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -30.78 54.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 65.4 110.841 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -64.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 72.52 110.893 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -55.86 -36.52 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.84 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.02 -24.55 39.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 64.51 110.875 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 52.33 110.941 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.799 0.333 . . . . 74.15 111.132 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.17 124.67 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.86 -36.89 51.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 74.22 112.513 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -51.34 57.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 74.05 110.826 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.567 ' O ' HG21 ' A' ' 13' ' ' THR . 9.9 mpt_? -52.25 -62.45 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 75.33 110.863 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.49 ' HA ' HD12 ' A' ' 32' ' ' LEU . 56.3 mt -47.46 -42.87 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 65.22 111.119 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.653 ' O ' HG22 ' A' ' 34' ' ' THR . 16.4 mttt -56.4 -54.19 48.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.926 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -48.48 64.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 55.43 110.913 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.539 HD23 ' CD1' ' A' ' 10' ' ' PHE . 9.9 mt -57.57 -52.11 66.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.946 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.411 ' HA ' HG12 ' A' ' 72' ' ' ILE . 6.3 m -57.91 -71.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 52.02 111.1 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.6 t -41.33 -44.29 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 74.54 111.173 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' HG23 ' A' ' 34' ' ' THR . 13.7 t80 -58.68 -56.85 16.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.933 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.13 -56.64 8.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 72.03 111.091 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.745 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.3 mp -57.54 -47.42 82.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 62.13 110.931 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -57.16 -23.89 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.849 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.618 ' HB2' HD11 ' A' ' 42' ' ' ILE . 32.6 m170 -133.92 85.07 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.846 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.602 HG22 HG22 ' A' ' 93' ' ' THR . 21.5 mm -77.94 -2.84 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 63.11 111.134 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -88.82 23.49 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 44.23 110.867 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.618 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.6 pt -151.5 30.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.1 111.165 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.2 pp20? -58.04 -37.18 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.869 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.3 t -58.14 -73.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 65.43 110.847 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.567 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.69 -47.13 20.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 75.21 110.878 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.767 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 81.7 mt -55.96 -72.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 72.14 111.139 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.726 HD12 HD11 ' A' ' 101' ' ' LEU . 42.4 mm -46.84 -47.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.43 111.124 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 m -57.01 -42.23 79.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 71.52 110.855 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.451 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.2 tp -58.33 -65.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 62.01 110.929 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 47' ' ' ILE . 8.0 pt -49.16 -44.95 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 71.12 111.156 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.2 mt -55.71 -63.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 62.33 111.166 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.85 -48.4 75.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 70.31 110.883 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.466 ' CB ' HD21 ' A' ' 14' ' ' LEU . 1.5 t80 -51.24 -40.03 57.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.922 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.599 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 25.6 p -62.25 -77.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.907 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.561 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -41.61 -34.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 62.42 110.88 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' HG ' ' HD3' ' A' ' 55' ' ' ARG . 17.4 mt -58.36 -77.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.952 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.42 155.13 1.35 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 74.5 110.869 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -155.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.733 2.289 . . . . 71.41 112.353 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.475 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 5.8 p-10 -40.08 -47.07 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 70.02 110.888 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -44.11 -40.06 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 62.41 110.853 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.22 -47.23 84.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.845 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.523 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -45.01 -63.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.91 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.9 tp -61.3 -58.23 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.975 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.56 -70.93 0.71 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 73.13 112.484 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -39.06 -53.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 71.32 110.865 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.728 HD22 HD23 ' A' ' 127' ' ' LEU . 4.6 mt -43.89 -53.66 5.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 55.14 110.865 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -58.07 -48.87 78.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 72.51 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.8 mt -56.15 -59.56 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.14 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.9 mt -56.08 -33.07 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.155 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -58.11 -57.42 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 74.31 110.876 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -55.8 -57.0 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 63.42 110.888 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 33' ' ' THR . 62.0 mt -55.22 -45.57 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 52.22 111.132 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.61 -62.89 5.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 74.14 112.491 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 mtm105 -48.47 -54.32 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 75.32 110.882 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.745 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -54.78 -60.51 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 54.32 111.112 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.589 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.1 m-30 -48.77 -49.23 39.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.866 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.516 ' HA ' HD11 ' A' ' 98' ' ' ILE . 49.9 tp -51.93 -61.87 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 74.3 110.923 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -41.47 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.903 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.64 ' HG3' HD23 ' A' ' 37' ' ' LEU . 6.8 mm-40 -53.95 -72.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 70.41 110.878 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.1 t -55.48 -42.83 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 52.52 111.153 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -51.82 -39.21 58.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.55 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -51.16 -30.39 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.872 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -112.27 -74.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 70.33 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.54 133.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 65.22 110.838 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 74.41 110.926 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.796 0.248 . . . . 73.12 112.372 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.61 -43.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 70.2 112.504 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.602 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -158.24 -174.27 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 72.44 111.143 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.432 ' SG ' HD12 ' A' ' 40' ' ' ILE . 88.6 m -45.43 -35.32 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 54.53 110.906 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.47 -71.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 64.02 111.102 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.458 ' HA ' HD22 ' A' ' 99' ' ' ASN . 34.0 t-80 -53.26 -36.32 61.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -57.54 -54.87 41.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 61.15 111.086 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.516 HD11 ' HA ' ' A' ' 77' ' ' LEU . 74.1 mt -55.58 -58.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.136 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.458 HD22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -55.37 -45.19 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.886 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.5 m -56.03 -58.95 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 71.35 111.138 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 47' ' ' ILE . 35.7 mt -51.11 -55.52 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.935 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -57.47 -17.08 24.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 34.33 112.506 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.592 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -84.86 -14.31 48.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 75.1 110.892 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.63 HG23 HD11 ' A' ' 108' ' ' LEU . 3.0 m -119.9 -17.18 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 71.54 111.085 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.786 ' HA ' HD12 ' A' ' 108' ' ' LEU . 2.3 tp -53.29 -26.24 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 73.33 111.153 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.458 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -51.23 -68.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 60.01 110.911 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -55.71 -44.03 77.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 105' ' ' ILE . 21.7 mt -55.24 -69.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.934 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.604 HD12 ' CG1' ' A' ' 105' ' ' ILE . 1.2 mt -52.17 -63.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 75.41 110.946 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 109' ' ' LEU . 43.0 m -36.99 -71.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 65.35 110.889 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.06 -41.05 16.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 61.23 110.817 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 109' ' ' LEU . . . -57.07 -60.95 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.071 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.602 HG12 HG21 ' A' ' 124' ' ' ILE . 0.9 OUTLIER -55.52 -45.58 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 60.31 111.164 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.46 -69.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.0 111.126 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -50.55 63.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.883 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.505 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 96.1 p -48.27 145.74 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 54.22 110.829 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' GLN . 3.9 p30 -98.05 -177.87 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 51.23 110.89 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.601 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 64.9 tt0 -35.82 -55.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.949 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.44 -72.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.848 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.505 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 18.8 m170 -45.46 -58.86 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 71.02 110.875 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.601 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.42 -38.21 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.922 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -61.46 -43.75 98.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.892 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -58.3 -45.09 88.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 63.3 110.89 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.602 HG21 HG12 ' A' ' 113' ' ' ILE . 40.3 mt -61.82 -46.32 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 75.02 111.144 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -55.34 -60.1 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 61.13 110.847 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 127' ' ' LEU . 26.8 ptm -52.21 -42.34 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 65.44 110.846 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.728 HD23 HD22 ' A' ' 66' ' ' LEU . 39.5 tp -55.39 -46.58 76.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 73.24 110.97 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.71 HD11 HG21 ' A' ' 145' ' ' ILE . 0.1 OUTLIER -56.21 -49.45 74.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.895 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -51.93 -51.48 56.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.851 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.64 -41.67 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 72.4 111.117 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.516 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 8.4 m0 -55.35 -56.12 23.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.878 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.36 -52.71 43.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -56.9 -72.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 43.23 110.869 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 55.22 110.867 -179.813 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.748 0.309 . . . . 65.34 111.088 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.71 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -63.79 -26.66 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 74.41 111.097 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -38.58 -51.96 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 72.32 110.88 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.5 t -57.06 98.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 42.32 110.829 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.55 -28.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 61.34 110.875 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 15.5 t -49.01 -35.2 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 63.51 110.865 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -56.77 -86.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.14 110.899 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -45.6 -47.2 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 74.02 111.085 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 63.7 mmm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.863 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.632 0.73 . . . . 62.14 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1009 ' ' PRO . . . . . 0.511 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.7 Cg_endo -69.78 -11.26 30.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.622 2.214 . . . . 65.1 112.357 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.9 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.875 0.369 . . . . 75.04 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -46.9 -29.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.865 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -49.93 -57.32 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.947 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.41 -51.65 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.52 110.893 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 30.0 t80 -56.03 -69.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.89 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.94 -45.24 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.134 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.438 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.29 -49.53 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 54.43 111.083 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.595 HG21 ' O ' ' A' ' 28' ' ' ARG . 38.8 m -57.64 -53.79 54.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 63.35 111.134 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 53' ' ' TYR . 11.2 tp -55.51 -54.18 47.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 64.13 110.933 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -49.58 -55.55 13.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 72.53 110.923 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -56.13 -31.54 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 54.52 110.821 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.517 ' HZ ' HG23 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -56.52 -62.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.888 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -56.84 -36.19 69.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 63.1 110.901 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -56.44 -23.77 40.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 71.4 110.816 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.926 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.517 HG23 ' HZ ' ' A' ' 17' ' ' PHE . 7.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.829 0.347 . . . . 74.13 111.116 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.13 125.73 31.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 54.41 110.895 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.35 -38.03 40.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 60.12 112.508 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -55.08 -47.6 74.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 75.53 110.893 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.595 ' O ' HG21 ' A' ' 13' ' ' THR . 5.4 mpt_? -52.83 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 65.24 110.874 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.615 ' HA ' HD12 ' A' ' 32' ' ' LEU . 79.1 mt -47.53 -43.62 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 52.25 111.135 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 34' ' ' THR . 16.3 mtmt -56.05 -53.23 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.898 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.76 -47.57 64.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.907 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 29' ' ' ILE . 6.7 mt -57.87 -51.8 68.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 64.32 110.901 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.423 HG23 ' HA ' ' A' ' 72' ' ' ILE . 16.4 m -57.51 -70.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.154 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.2 t -42.68 -45.29 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 51.34 111.195 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.478 ' N ' HG23 ' A' ' 34' ' ' THR . 19.7 t80 -58.25 -54.46 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 65.13 110.931 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.616 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.17 -57.08 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 30.12 111.093 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.712 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.1 mp -57.42 -46.64 83.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.915 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -55.59 -27.47 49.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 74.52 110.856 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.671 ' HB3' HD11 ' A' ' 42' ' ' ILE . 3.1 t-160 -130.54 84.54 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.831 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.587 HG22 ' O ' ' A' ' 40' ' ' ILE . 21.4 mm -79.5 2.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.132 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -92.97 17.3 10.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 65.24 110.856 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.671 HD11 ' HB3' ' A' ' 39' ' ' HIS . 3.0 pt -147.56 33.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 70.43 111.124 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.714 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -59.44 -34.14 72.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.871 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 33.1 t -59.73 -73.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.831 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.478 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.25 -47.61 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.914 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.8 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 68.4 mt -56.56 -73.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.16 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.788 HD12 HD11 ' A' ' 101' ' ' LEU . 40.4 mm -45.78 -49.75 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 64.24 111.154 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -56.91 -41.74 78.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 72.1 110.848 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.6 tp -57.6 -66.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 74.3 110.891 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.476 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.6 pt -48.8 -44.7 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.54 111.14 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.491 ' CD1' HG22 ' A' ' 47' ' ' ILE . 74.3 mt -55.7 -63.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 73.4 111.161 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -49.88 74.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 72.31 110.84 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.472 ' CB ' HD21 ' A' ' 14' ' ' LEU . 3.6 t80 -48.73 -41.56 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.2 110.959 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 56.3 p -62.24 -76.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 60.12 110.838 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.519 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -41.91 -35.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 71.05 110.888 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.29 -77.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 60.35 110.916 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 61' ' ' HIS . 88.4 m -47.41 150.14 1.72 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.635 0.731 . . . . 41.51 110.857 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -153.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.734 2.29 . . . . 75.32 112.315 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.86 -46.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.82 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.5 t -43.22 -42.61 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 61.42 110.831 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.527 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -58.06 -46.84 84.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 61.51 110.857 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.532 ' O ' HD12 ' A' ' 66' ' ' LEU . 12.0 mtmt -42.41 -67.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.876 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.22 -59.72 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 71.25 110.953 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -49.71 -71.85 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.722 . . . . 74.24 112.449 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLY . 33.4 t -37.25 -61.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 64.03 110.871 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.764 ' CD2' HD23 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -41.42 -53.8 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.891 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -57.91 -47.69 82.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 75.02 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.404 HD13 ' CD1' ' A' ' 14' ' ' LEU . 73.8 mt -56.41 -54.19 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 71.23 111.134 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.1 mt -56.29 -38.49 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.53 111.157 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.51 -54.84 42.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 74.04 110.853 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.66 -64.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.843 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.423 ' HA ' HG23 ' A' ' 33' ' ' THR . 47.3 mt -51.67 -44.65 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 75.01 111.134 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.47 -59.71 8.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 63.4 112.559 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -51.96 -53.8 37.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 74.4 110.842 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.712 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -55.09 -63.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 61.31 111.118 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.616 ' O ' HG22 ' A' ' 80' ' ' THR . 2.4 m-30 -48.64 -44.16 37.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 71.23 110.929 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.434 ' HA ' HD11 ' A' ' 98' ' ' ILE . 15.7 tp -54.24 -58.55 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 60.35 110.928 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -39.72 67.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 62.45 110.846 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.478 ' HG3' HD23 ' A' ' 37' ' ' LEU . 18.5 mm-40 -55.96 -73.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.41 110.916 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.744 HG21 HD12 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -55.41 -35.98 65.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 70.11 111.137 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.75 -48.0 73.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 62.44 110.88 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.0 t -54.73 -35.31 63.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.848 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -179.42 152.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 72.31 110.913 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 t 64.04 106.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.903 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.924 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.3 Cg_endo . . . . . 0 C--O 1.23 0.113 0 CA-C-O 120.833 0.264 . . . . 61.3 112.312 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.52 -49.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 43.34 112.508 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.582 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -153.76 -175.21 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 70.55 111.104 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.3 p -40.59 -52.05 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 65.32 110.867 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.46 -68.0 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.34 111.043 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 3.3 m-70 -50.44 -39.91 48.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 72.34 110.825 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.59 -52.17 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 61.43 111.141 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.744 HD12 HG21 ' A' ' 80' ' ' THR . 39.6 mt -56.33 -58.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.4 111.153 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.52 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 71.25 110.857 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.6 m -56.62 -54.19 48.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 61.14 111.142 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.788 HD11 HD12 ' A' ' 47' ' ' ILE . 30.8 mt -55.16 -53.95 49.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.41 110.89 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.76 -14.98 24.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 73.01 112.468 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.556 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -89.91 -10.0 46.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 65.34 110.904 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.556 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.1 m -122.5 -19.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 73.03 111.148 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.753 HG13 HD12 ' A' ' 109' ' ' LEU . 1.6 tp -50.82 -31.42 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.54 111.147 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.441 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -48.29 -70.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.927 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.55 -37.71 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.835 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.64 -74.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 62.5 110.919 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.972 HD13 HD12 ' A' ' 145' ' ' ILE . 0.3 OUTLIER -51.81 -60.29 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.939 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' LEU . 88.6 p -37.64 -63.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.836 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -52.47 -46.57 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 71.31 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.466 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.64 -60.85 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 44.11 111.051 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.2 mt -51.08 -47.34 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 61.53 111.112 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.45 -69.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 71.53 111.147 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -53.97 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 61.54 110.901 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.498 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 96.2 p -43.32 143.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.34 110.889 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -91.27 -174.94 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 61.04 110.88 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.537 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 20.0 tt0 -43.18 -54.03 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 65.24 110.932 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.51 -65.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 53.01 110.871 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.498 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 1.6 m-70 -48.61 -61.08 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 55.32 110.873 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -47.96 -35.28 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 71.32 110.864 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -60.19 -54.63 43.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 55.34 110.891 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -51.22 -48.6 62.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 72.51 110.868 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.683 HG12 HD13 ' A' ' 66' ' ' LEU . 73.0 mt -56.77 -51.12 71.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 72.33 111.122 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -49.37 -53.29 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 62.51 110.842 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.07 -46.2 75.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 54.14 110.835 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.764 HD23 ' CD2' ' A' ' 66' ' ' LEU . 19.4 tp -55.27 -46.77 76.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 1.043 HD11 HG21 ' A' ' 145' ' ' ILE . 11.6 mt -56.15 -49.29 74.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 70.34 110.878 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -52.49 -50.45 62.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 63.52 110.856 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.453 HG21 ' HA ' ' B' 1010 ' ' TYR . 68.2 mt -57.28 -42.04 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 71.14 111.106 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.458 ' HE1' HD11 ' A' ' 127' ' ' LEU . 45.2 m0 -55.1 -56.36 20.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 71.24 110.903 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.27 -55.51 30.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.893 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -72.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 63.05 110.884 -179.747 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.807 0.337 . . . . 75.22 111.052 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 1.043 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.07 -24.3 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.23 111.084 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -43.95 -52.67 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.864 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.5 t -55.51 100.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 52.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -28.86 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 74.13 110.944 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.5 m -49.73 -29.51 7.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 60.23 110.874 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -57.89 -95.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.852 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -39.58 -38.43 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.4 111.075 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 22.7 mtp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 70.45 110.871 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1008 ' ' ASN . . . . . 0.426 ' HA ' ' HD2' ' B' 1009 ' ' PRO . 15.8 t-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.604 0.716 . . . . 70.04 110.868 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1009 ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' B' 1008 ' ' ASN . 53.7 Cg_endo -69.82 -17.82 37.1 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 61.21 112.341 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1010 ' ' TYR . . . . . 0.453 ' HA ' HG21 ' A' ' 130' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.885 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.884 0.373 . . . . 65.51 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -46.45 -29.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.87 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -50.23 -56.81 9.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 72.24 110.965 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -53.21 -51.82 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 62.2 110.84 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.813 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 36.1 t80 -55.85 -69.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.884 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.88 -44.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 72.35 111.111 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.8 -49.35 68.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.35 111.079 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.584 HG21 ' O ' ' A' ' 28' ' ' ARG . 32.3 m -57.39 -52.69 64.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 75.13 111.146 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 53' ' ' TYR . 8.1 tp -55.89 -56.65 18.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.923 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.61 -57.63 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.865 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 t -56.48 -29.89 62.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 52.43 110.855 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.52 ' HD1' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -56.9 -62.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 65.33 110.85 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -56.18 -34.44 66.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.925 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -55.81 -22.03 22.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 74.22 110.844 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.52 HD12 ' HD1' ' A' ' 17' ' ' PHE . 52.1 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.929 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 24' ' ' ILE . 10.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.842 0.353 . . . . 72.32 111.149 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.4 m -90.26 126.54 35.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 42.14 110.857 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.04 -26.68 49.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 74.23 112.545 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -49.33 -57.81 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 73.04 110.847 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.584 ' O ' HG21 ' A' ' 13' ' ' THR . 10.8 mpt_? -49.37 -53.91 20.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.869 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.8 mt -50.91 -45.2 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 62.1 111.132 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.645 ' O ' HG22 ' A' ' 34' ' ' THR . 11.4 mttt -55.35 -54.55 42.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.878 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.97 -50.13 61.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 71.24 110.901 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD23 ' CD1' ' A' ' 10' ' ' PHE . 11.5 mt -57.93 -52.06 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.915 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 72' ' ' ILE . 3.2 m -57.02 -71.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.168 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.3 t -42.04 -43.72 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 75.44 111.156 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' N ' HG23 ' A' ' 34' ' ' THR . 19.9 t80 -58.07 -57.15 14.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.901 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.549 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -50.07 -51.16 44.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 63.44 111.076 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.557 ' HA ' HD11 ' A' ' 40' ' ' ILE . 4.1 mm? -55.18 -48.83 73.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 71.23 110.884 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -56.9 -30.61 64.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.841 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.697 ' HB3' HD11 ' A' ' 42' ' ' ILE . 6.0 t-160 -128.74 86.14 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.885 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.557 HD11 ' HA ' ' A' ' 37' ' ' LEU . 25.4 mm -80.77 1.88 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 73.44 111.147 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -90.23 14.66 12.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 54.34 110.869 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 39' ' ' HIS . 2.9 pt -139.95 31.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 62.13 111.155 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.649 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.2 pp20? -58.58 -36.61 74.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.14 110.845 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -58.38 -73.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.1 110.878 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' CD ' ' H ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -47.13 -47.92 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 71.13 110.899 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.813 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 67.5 mt -55.95 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 71.32 111.152 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.686 HD12 HD11 ' A' ' 101' ' ' LEU . 33.8 mm -47.44 -49.57 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 73.02 111.086 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 m -57.05 -42.79 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.86 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.462 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.3 tp -57.54 -67.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.35 110.881 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.53 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.7 pt -46.94 -45.92 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 63.13 111.085 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.506 HD12 HG22 ' A' ' 47' ' ' ILE . 78.5 mt -55.79 -62.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.156 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -51.69 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.863 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CB ' HD21 ' A' ' 14' ' ' LEU . 4.1 t80 -49.82 -38.34 34.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 71.2 110.901 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.623 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 4.6 p -63.58 -75.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 41.34 110.873 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.623 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -42.04 -35.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 72.34 110.829 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.17 -75.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.943 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.51 151.85 1.83 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 50.33 110.92 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -153.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.713 2.275 . . . . 71.22 112.36 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 14.6 t70 -39.4 -45.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 71.34 110.84 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -44.19 -41.84 6.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 55.41 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -59.07 -47.89 83.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 65.54 110.881 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.532 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 40.6 mttm -44.08 -69.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 63.31 110.904 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 9.8 tp -63.33 -57.59 9.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 71.32 110.947 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -51.72 -75.54 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 42.12 112.5 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' GLY . 3.5 p -38.12 -48.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 62.1 110.867 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.452 HD21 ' HG ' ' A' ' 109' ' ' LEU . 6.8 mt -45.95 -55.44 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.933 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.529 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 14.4 m-85 -57.61 -44.47 85.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.922 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.52 HD11 ' CD2' ' A' ' 17' ' ' PHE . 81.5 mt -56.83 -57.61 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 73.35 111.133 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.9 mt -55.73 -36.34 42.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 74.03 111.154 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.13 -54.41 47.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 50.2 110.853 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.8 m -55.38 -59.86 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.864 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.434 ' HA ' HG23 ' A' ' 33' ' ' THR . 49.8 mt -54.45 -51.03 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 65.12 111.133 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.34 -54.0 34.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 60.31 112.489 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -58.82 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 64.04 110.843 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -55.33 -53.25 58.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 51.44 111.104 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.549 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.3 m-30 -52.09 -49.93 62.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.894 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -60.67 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 74.41 110.919 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.1 -41.09 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.887 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.472 ' HG3' HD12 ' A' ' 37' ' ' LEU . 9.3 mm-40 -55.81 -72.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.896 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.7 t -54.68 -43.27 72.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 71.15 111.164 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.84 -37.06 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 44.43 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -51.81 -30.94 25.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.52 110.812 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -114.63 -75.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 70.13 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -171.98 140.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 71.2 110.883 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.892 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.833 0.264 . . . . 65.22 112.313 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.86 -44.87 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 74.31 112.495 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -156.37 -173.72 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 72.24 111.114 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 80.1 m -45.2 -44.4 10.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.04 110.867 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.03 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 55.15 111.107 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -52.75 -34.97 55.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 65.42 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.37 -58.13 9.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 52.3 111.098 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 94' ' ' CYS . 3.6 mt -56.37 -47.52 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.52 111.129 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -56.52 -54.2 48.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 50.25 110.923 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.3 m -53.47 -49.04 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.14 111.126 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.686 HD11 HD12 ' A' ' 47' ' ' ILE . 25.7 mt -53.32 -56.37 17.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.912 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.57 -15.14 24.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 75.34 112.519 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.564 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -86.41 -15.51 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 61.41 110.876 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.564 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -119.11 -21.92 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 60.41 111.117 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.78 ' CG1' HD12 ' A' ' 109' ' ' LEU . 1.6 tp -49.91 -30.25 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 70.51 111.141 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.41 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -45.29 -69.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.898 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.93 -39.91 72.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 41.13 110.928 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.502 HD22 ' OG ' ' A' ' 54' ' ' SER . 43.7 mt -56.38 -71.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.923 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.78 HD12 ' CG1' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -55.42 -62.84 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 65.15 110.917 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 109' ' ' LEU . 97.0 p -34.58 -60.55 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.855 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -55.26 -52.79 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.11 110.877 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.428 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -48.41 -57.19 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 50.01 111.107 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.507 HG12 HG21 ' A' ' 124' ' ' ILE . 2.1 mt -54.78 -48.04 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.169 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.46 ' HB3' ' HE2' ' A' ' 115' ' ' LYS . . . -57.13 -68.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.078 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.46 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -51.55 -52.74 44.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.919 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 97.0 p -47.0 144.32 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 53.41 110.842 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 118' ' ' GLN . 1.0 OUTLIER -99.24 -178.09 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 73.54 110.901 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 30.1 tt0 -34.77 -55.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 33.25 110.912 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.22 -73.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.477 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 26.3 m170 -45.7 -58.64 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.848 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.583 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.58 -38.06 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.873 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.25 -45.62 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.871 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -57.27 -48.66 78.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 73.42 110.934 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.507 HG21 HG12 ' A' ' 113' ' ' ILE . 58.7 mt -58.24 -51.61 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.34 111.113 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -49.37 -53.99 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.866 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.78 -48.35 72.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.869 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.734 HD12 ' HG3' ' B' 1009 ' ' PRO . 12.5 tp -51.96 -47.0 64.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 55.42 110.94 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.623 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.3 OUTLIER -57.2 -49.33 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.931 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -50.83 -54.39 24.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 63.23 110.888 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.502 HD13 ' HG2' ' B' 1009 ' ' PRO . 8.1 mt -58.07 -40.63 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 62.42 111.132 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.531 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 31.0 m0 -51.16 -61.46 2.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.906 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -55.78 -47.68 76.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 54.5 110.889 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -55.72 -68.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 61.25 110.902 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.3 110.833 -179.808 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.793 0.33 . . . . 62.54 111.099 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.741 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.81 -23.3 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.15 111.134 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -39.65 -53.27 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.91 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.7 t -63.75 105.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 65.54 110.895 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -46.9 -28.13 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 71.5 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 94.9 m -47.86 -30.13 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 55.35 110.862 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -57.61 -95.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.877 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -40.15 -37.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 71.41 111.127 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 36.7 mtp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.85 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 15.0 p30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.644 0.735 . . . . 71.53 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1009 ' ' PRO . . . . . 0.734 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.6 Cg_endo -69.72 -9.6 26.53 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 73.43 112.348 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 64.53 110.96 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.342 . . . . 72.21 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -48.34 -26.41 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.844 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -48.41 -58.45 4.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.955 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -52.64 -50.44 63.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 70.1 110.927 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.79 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 40.7 t80 -55.7 -70.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 65.35 110.871 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -47.63 -46.01 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.14 111.089 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.463 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.26 -47.23 69.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.061 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.522 HG21 ' O ' ' A' ' 28' ' ' ARG . 11.7 m -58.0 -54.56 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 72.42 111.116 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.8 tp -55.86 -51.46 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.949 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.09 -54.09 17.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.909 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 t -56.98 -32.18 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 71.22 110.874 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.93 -61.19 2.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 6.0 pttt -55.67 -32.51 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.895 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -55.31 -23.17 22.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.915 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 25' ' ' SER . 31.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 64.51 110.873 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.831 0.348 . . . . 70.03 111.133 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.597 ' HB2' HD11 ' A' ' 20' ' ' LEU . 1.5 t -119.63 110.44 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.876 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.61 -51.98 53.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 53.24 112.497 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.6 t -48.61 -43.61 36.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 61.42 110.859 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' HG21 ' A' ' 13' ' ' THR . 9.3 mpt_? -54.64 -58.95 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 63.31 110.896 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.503 ' HA ' HD12 ' A' ' 32' ' ' LEU . 47.0 mt -50.03 -42.96 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 64.32 111.14 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.61 ' O ' HG22 ' A' ' 34' ' ' THR . 25.8 mtpt -56.3 -57.64 11.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 62.12 110.95 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -50.08 -50.54 47.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.911 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 29' ' ' ILE . 4.1 mt -56.05 -51.42 67.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.51 110.91 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.437 HG23 ' HA ' ' A' ' 72' ' ' ILE . 5.2 m -57.37 -71.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 70.33 111.166 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.3 t -43.8 -44.35 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 64.31 111.132 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.475 ' N ' HG23 ' A' ' 34' ' ' THR . 22.2 t80 -56.6 -57.63 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.919 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.613 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.77 -52.51 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 72.2 111.119 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HA ' HD11 ' A' ' 40' ' ' ILE . 3.7 mm? -57.6 -50.91 71.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.95 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -56.68 -28.64 61.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 62.25 110.876 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.626 ' CB ' HD11 ' A' ' 42' ' ' ILE . 75.0 m-70 -127.29 83.92 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.885 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 40' ' ' ILE . 19.2 mm -79.8 0.4 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 75.41 111.106 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -92.17 21.88 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.895 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.4 pt -148.3 27.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.144 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.696 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -57.72 -34.43 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 61.54 110.903 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -58.67 -72.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 61.5 110.885 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.3 -45.58 45.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.01 110.913 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.79 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 57.0 mt -57.07 -69.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 75.44 111.123 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.783 HD12 HD11 ' A' ' 101' ' ' LEU . 37.3 mm -49.33 -46.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 75.3 111.112 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 m -57.93 -43.48 86.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 75.31 110.872 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.523 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.6 tp -57.72 -66.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.505 . . . . 63.4 110.899 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.5 pt -45.46 -47.0 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.52 111.112 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.516 HD13 HG21 ' A' ' 104' ' ' VAL . 73.9 mt -55.51 -56.64 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 65.11 111.182 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.33 -46.84 79.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 65.32 110.851 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.752 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.6 t80 -53.53 -35.81 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.55 110.938 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 t -62.01 -74.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 74.24 110.883 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -24.61 58.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 73.52 110.864 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 53' ' ' TYR . 3.8 mt -42.96 -80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 64.35 110.911 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.692 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -88.97 170.59 10.65 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.716 . . . . 75.44 110.887 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.84 -159.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 75.34 112.28 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -30.46 -51.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.835 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 59' ' ' ASP . 58.5 m -32.62 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.848 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.692 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 11.1 m170 -59.61 -47.83 84.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 73.13 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.686 ' HZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.3 mtmp? -31.8 -68.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.894 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.53 -51.78 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 70.54 110.925 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.45 -59.76 7.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 72.01 112.494 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -54.66 14.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 70.11 110.844 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.537 HD12 HG12 ' A' ' 124' ' ' ILE . 1.1 mt -43.33 -51.93 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 73.43 110.903 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -57.12 -50.11 73.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 14' ' ' LEU . 40.6 mt -57.24 -54.59 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 74.12 111.139 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.5 mt -55.81 -36.66 44.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 51.14 111.096 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -54.89 41.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.892 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -56.82 -59.44 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 72.51 110.877 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.437 ' HA ' HG23 ' A' ' 33' ' ' THR . 61.9 mt -53.62 -47.36 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 71.11 111.156 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.65 -56.81 18.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 71.51 112.457 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.2 -56.88 9.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 73.11 110.897 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.423 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -54.96 -50.87 67.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.094 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.658 ' O ' HG22 ' A' ' 80' ' ' THR . 2.4 m-30 -55.41 -47.1 76.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.893 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.6 tp -53.44 -52.95 57.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 65.24 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -43.38 77.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.839 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -56.05 -71.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 63.03 110.869 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.698 HG21 HD12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -53.99 -35.84 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 41.1 111.163 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -49.8 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 52.33 110.871 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -24.13 29.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 73.51 110.825 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -119.1 -165.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 71.44 110.847 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -87.48 105.02 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.872 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.9 p30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 51.44 110.875 -179.917 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.433 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.118 0 CA-C-O 120.836 0.265 . . . . 73.2 112.337 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.38 -42.2 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 73.02 112.461 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.503 HG22 HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -152.76 -175.49 5.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.328 . . . . 74.41 111.157 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.6 p -45.31 -50.91 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 72.24 110.899 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.54 -66.77 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.135 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 40.8 m170 -52.24 -37.45 55.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.853 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.02 -58.69 6.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 63.14 111.104 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.698 HD12 HG21 ' A' ' 80' ' ' THR . 82.9 mt -53.39 -44.08 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.109 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -55.27 -50.81 68.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.893 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.0 m -56.24 -54.05 49.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.31 111.141 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.783 HD11 HD12 ' A' ' 47' ' ' ILE . 45.7 mt -51.13 -57.08 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.15 110.926 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.58 -15.52 25.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 64.44 112.467 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -91.68 -10.9 38.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 72.51 110.903 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.574 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.8 m -121.27 -15.51 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 74.44 111.168 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.833 HG13 HD12 ' A' ' 109' ' ' LEU . 3.4 tp -50.26 -29.79 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.31 111.116 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.4 110.917 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -56.44 -39.75 73.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 63.42 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.2 mt -56.83 -71.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 74.14 110.924 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.833 HD12 HG13 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -51.66 -64.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 34.03 110.938 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 109' ' ' LEU . 96.2 p -38.05 -62.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.45 110.851 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.45 -43.31 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 70.13 110.909 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.508 ' HA ' ' HD2' ' A' ' 62' ' ' LYS . . . -57.09 -60.04 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 60.51 111.073 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -56.27 -40.09 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.4 111.162 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.66 -70.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.02 111.123 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HB3' ' CE ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -54.31 -47.93 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 72.42 110.923 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 89.6 p -49.08 141.04 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 54.35 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 121' ' ' LYS . 3.1 p30 -90.36 -173.86 3.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 65.44 110.917 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.624 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 4.7 mt-30 -43.49 -52.74 5.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.931 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.53 -67.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 52.32 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.476 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 12.0 m170 -47.88 -59.31 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.816 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.41 -39.15 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.907 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.47 -44.52 96.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.907 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -58.35 -50.18 74.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 71.43 110.851 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.537 HG12 HD12 ' A' ' 66' ' ' LEU . 37.0 mt -56.83 -49.19 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 70.31 111.109 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -54.22 27.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.909 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.47 -49.33 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.855 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.545 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 50.2 tp -52.28 -46.87 66.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.868 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.426 HD11 HG13 ' A' ' 145' ' ' ILE . 1.1 tt -56.25 -48.65 76.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.03 110.956 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -52.91 -49.28 66.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.866 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.06 -42.14 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.121 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.545 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 42.5 m0 -54.17 -58.37 7.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 73.4 110.919 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.75 -53.03 61.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 70.34 110.855 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -55.24 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.879 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 63.3 110.898 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.825 0.345 . . . . 72.33 111.087 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.602 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.89 -21.52 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.43 111.065 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -45.1 -51.54 10.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.835 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 81.8 p -60.67 98.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.886 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -46.54 -34.03 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 60.44 110.884 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.1 p -45.69 -30.91 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 75.42 110.881 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -55.5 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 72.42 110.849 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -48.12 -47.03 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 62.52 111.102 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 71.04 110.91 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.629 0.728 . . . . 74.21 110.864 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.44 25.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.672 2.248 . . . . 71.2 112.342 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 73.24 110.886 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.887 0.375 . . . . 73.42 110.846 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -49.61 -27.07 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.859 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -50.1 -56.58 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.906 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -54.13 -50.27 67.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.894 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.73 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 38.7 t80 -55.49 -69.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 64.4 110.863 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -49.66 -44.33 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 62.42 111.151 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.92 -50.12 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.23 111.12 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.519 HG21 ' O ' ' A' ' 28' ' ' ARG . 94.7 m -57.15 -52.79 63.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.137 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD23 ' HG ' ' A' ' 49' ' ' LEU . 12.5 tp -56.6 -54.31 47.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 70.11 110.899 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.61 -60.72 2.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 74.02 110.892 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.2 t -55.25 -30.72 60.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.03 110.885 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 64.5 110.88 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -55.51 -36.13 66.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 62.31 110.93 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.52 -27.45 57.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.862 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 44.04 110.911 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.793 0.33 . . . . 71.13 111.157 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.17 127.87 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 70.01 110.877 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.56 -36.39 64.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 70.21 112.496 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.82 -52.41 41.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 65.34 110.841 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.519 ' O ' HG21 ' A' ' 13' ' ' THR . 9.4 mpt_? -51.4 -60.23 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.931 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.548 ' HA ' HD12 ' A' ' 32' ' ' LEU . 65.0 mt -48.28 -44.5 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 63.3 111.14 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.658 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.95 -55.07 37.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 64.45 110.889 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -50.51 -48.69 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 62.33 110.919 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 29' ' ' ILE . 6.5 mt -56.99 -51.84 67.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 74.21 110.91 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.7 m -57.81 -71.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.161 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.3 t -41.5 -45.03 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 74.53 111.181 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' N ' HG23 ' A' ' 34' ' ' THR . 13.3 t80 -56.69 -57.16 13.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.946 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.3 -51.47 44.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 73.54 111.127 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.508 ' HA ' HD11 ' A' ' 40' ' ' ILE . 3.9 mm? -57.21 -49.58 75.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.911 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -57.1 -26.73 60.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 62.1 110.84 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.708 ' HB2' HD11 ' A' ' 42' ' ' ILE . 31.9 m170 -129.99 85.06 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.808 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.599 HG22 HG22 ' A' ' 93' ' ' THR . 33.4 mm -80.27 -1.01 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 64.12 111.172 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -90.96 21.94 3.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.861 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.708 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.9 pt -147.26 31.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 65.3 111.143 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.635 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -58.07 -35.55 71.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.892 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -58.68 -72.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 63.4 110.878 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.99 -47.56 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 70.23 110.903 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.73 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 89.3 mt -55.83 -69.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.1 111.104 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 101' ' ' LEU . 36.2 mm -47.98 -48.96 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.02 111.141 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.4 m -56.69 -42.47 79.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.873 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD23 ' CE2' ' A' ' 10' ' ' PHE . 14.7 tp -58.27 -66.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.534 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.6 pt -47.14 -44.31 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 65.23 111.084 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.409 HG12 HG21 ' A' ' 104' ' ' VAL . 44.7 mt -55.69 -59.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 72.03 111.082 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.414 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -58.55 -49.11 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.86 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.504 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -50.66 -41.86 55.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.934 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 60.6 p -62.53 -73.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 74.22 110.901 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.478 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -43.25 -33.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 70.43 110.887 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 53' ' ' TYR . 35.1 mt -61.17 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 65.25 110.956 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.568 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -50.09 141.72 14.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.627 0.727 . . . . 73.24 110.896 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -100.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 72.22 112.337 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.476 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 3.1 p-10 -69.84 -54.16 14.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 71.53 110.919 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -38.34 -49.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 65.24 110.9 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.568 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -55.58 -53.55 55.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.45 110.807 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.554 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 9.1 mtmm -35.88 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.874 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.569 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 10.0 tp -63.81 -58.34 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 72.33 110.962 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.7 -77.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 74.01 112.533 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' GLY . 0.7 OUTLIER -36.86 -51.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 50.33 110.84 -179.771 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 62' ' ' LYS . 7.8 mt -45.84 -57.33 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.908 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.569 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 12.1 m-30 -57.04 -42.21 80.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.99 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -55.93 -57.27 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 74.14 111.101 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.35 -34.56 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 61.45 111.116 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -57.64 11.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.893 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -56.72 -62.13 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 63.11 110.864 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.5 mt -51.94 -46.54 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 62.31 111.157 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.5 -57.41 13.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 72.42 112.447 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.78 -57.36 9.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 71.01 110.837 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.98 -57.41 11.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 70.42 111.093 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.671 ' O ' HG22 ' A' ' 80' ' ' THR . 1.9 m-85 -50.33 -49.79 52.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.92 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -59.97 3.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 64.52 110.925 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -41.93 63.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 72.03 110.871 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.459 ' HG3' HD12 ' A' ' 37' ' ' LEU . 24.9 mm-40 -56.69 -75.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 64.5 110.852 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.2 t -51.55 -35.12 39.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 70.44 111.177 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -55.19 -52.17 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.876 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -55.89 -35.59 66.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.86 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.65 159.58 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.873 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m 64.36 96.35 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.872 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 70.4 110.875 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.129 0 CA-C-O 120.824 0.26 . . . . 54.02 112.35 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.81 -46.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 41.54 112.487 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.599 HG22 HG22 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -158.96 -173.86 4.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 71.04 111.089 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.467 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 68.9 m -45.66 -40.68 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.877 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -43.27 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 60.04 111.089 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -52.83 -35.36 57.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 72.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.16 -57.99 9.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 74.32 111.104 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.538 ' CD1' HG21 ' A' ' 80' ' ' THR . 5.4 mt -56.29 -47.34 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.3 111.156 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -56.58 -55.43 33.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.2 110.899 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.1 m -51.39 -53.28 38.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 42.1 111.156 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.59 HD11 HD12 ' A' ' 47' ' ' ILE . 47.3 mt -51.01 -56.55 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.905 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.71 -15.56 26.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.69 -0.767 . . . . 72.44 112.49 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.582 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -86.78 -12.29 48.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 73.44 110.849 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.582 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -122.13 -18.94 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 65.42 111.146 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.834 HG13 HD12 ' A' ' 109' ' ' LEU . 4.0 tp -49.95 -29.73 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.522 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.35 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.909 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -56.02 -38.9 71.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.894 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.459 HD22 ' OG ' ' A' ' 54' ' ' SER . 34.9 mt -56.24 -71.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.834 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -51.95 -63.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.91 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 109' ' ' LEU . 83.8 p -36.61 -62.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 71.12 110.835 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.96 -49.46 50.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 72.44 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.533 ' HA ' ' HD2' ' A' ' 62' ' ' LYS . . . -55.63 -55.83 27.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 55.21 111.129 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.6 HG12 HG21 ' A' ' 124' ' ' ILE . 2.5 mt -55.6 -44.09 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 64.05 111.167 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.33 -68.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 43.53 111.092 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -55.71 -50.58 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 75.2 110.874 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.543 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 82.6 p -45.85 139.4 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.834 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -89.58 -168.68 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.877 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.562 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 8.1 tp-100 -46.98 -54.45 10.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.93 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.77 -64.25 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 70.24 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.543 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 26.7 m170 -48.92 -60.1 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.849 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -49.03 -34.63 13.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 62.21 110.915 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -53.76 54.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 61.41 110.874 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -53.59 -43.5 68.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.886 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.6 HG21 HG12 ' A' ' 113' ' ' ILE . 28.4 mt -61.68 -45.1 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 65.14 111.164 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -55.5 -59.11 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.87 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 127' ' ' LEU . 22.3 ptm -52.98 -45.18 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 72.12 110.889 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' B' 1009 ' ' PRO . 18.0 tp -54.35 -47.55 72.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 53.55 110.918 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.595 HD21 HG13 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.75 -49.29 75.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.882 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -50.21 -51.89 40.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 53.0 110.867 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 53.4 mt -57.01 -42.21 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.11 111.136 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.622 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 14.2 m0 -54.74 -55.42 30.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.25 110.941 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -54.86 -49.03 72.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.887 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -54.67 -70.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 70.43 110.872 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.846 -179.75 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.741 0.305 . . . . 72.1 111.106 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.811 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.74 -23.22 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.03 111.091 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -43.0 -51.6 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 63.03 110.872 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 t -54.09 100.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.45 110.849 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -45.86 -29.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 53.54 110.905 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 88.7 m -46.77 -33.18 4.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -54.69 -85.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 73.25 110.887 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -48.11 -55.88 9.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 53.43 111.117 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 3.2 ptm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.32 110.851 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.641 0.734 . . . . 64.25 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1009 ' ' PRO . . . . . 0.431 ' HG3' HD13 ' A' ' 127' ' ' LEU . 54.1 Cg_endo -69.76 -23.24 31.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 75.45 112.347 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 61.2 110.906 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.853 0.358 . . . . 74.44 110.829 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -48.01 -26.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 62.33 110.857 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -50.59 -57.47 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.96 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -52.96 -51.99 59.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 60.33 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.735 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 45.6 t80 -55.25 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.907 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.84 -44.51 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 74.3 111.139 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.36 -49.52 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 51.31 111.074 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.598 HG21 ' O ' ' A' ' 28' ' ' ARG . 57.0 m -57.24 -53.84 53.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 62.03 111.141 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.7 tp -55.7 -53.63 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.903 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.07 -56.58 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 t -55.97 -30.95 62.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 72.22 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.501 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -57.59 -61.92 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 72.3 110.863 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -56.52 -36.59 69.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 45.34 110.916 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -56.38 -24.58 45.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.842 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.914 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.501 HG23 ' CZ ' ' A' ' 17' ' ' PHE . 4.8 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.84 0.352 . . . . 72.43 111.133 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.68 131.92 36.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 53.02 110.836 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.82 -34.39 61.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 61.11 112.447 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -54.11 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 54.55 110.856 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.598 ' O ' HG21 ' A' ' 13' ' ' THR . 8.8 mpt_? -50.15 -57.91 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 70.34 110.884 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.546 ' HA ' HD12 ' A' ' 32' ' ' LEU . 69.2 mt -49.81 -42.96 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.15 111.163 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 34' ' ' THR . 6.1 mmtp -56.26 -56.47 20.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 72.34 110.886 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -49.99 -48.37 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 64.54 110.946 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 29' ' ' ILE . 7.2 mt -57.69 -51.26 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.903 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.449 HG23 ' HA ' ' A' ' 72' ' ' ILE . 6.2 m -57.78 -71.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 25.44 111.123 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 30' ' ' LYS . 7.1 t -42.53 -45.78 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.45 111.155 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.468 ' N ' HG23 ' A' ' 34' ' ' THR . 20.9 t80 -58.23 -54.9 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.924 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.708 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.58 -57.67 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 75.31 111.081 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.705 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.3 mp -57.14 -48.31 79.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 70.2 110.889 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -56.27 -27.15 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 62.23 110.909 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CB ' HD11 ' A' ' 42' ' ' ILE . 87.4 m-70 -129.5 84.1 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.886 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.593 HG22 HG22 ' A' ' 93' ' ' THR . 18.3 mm -78.68 -0.71 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 52.4 111.134 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -90.62 19.72 5.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 64.22 110.897 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.604 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.7 pt -147.36 28.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 75.22 111.113 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.664 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.3 pm0 -57.54 -36.29 71.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 65.1 110.867 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.1 t -58.51 -73.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.866 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.511 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.96 -46.52 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.833 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.735 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 70.4 mt -56.33 -71.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 74.21 111.153 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.76 HD12 HD11 ' A' ' 101' ' ' LEU . 40.3 mm -47.53 -47.38 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 75.05 111.097 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 m -57.82 -42.82 85.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 65.3 110.872 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.1 tp -57.68 -67.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 71.04 110.96 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.58 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.1 pt -45.12 -46.23 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.114 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.0 mt -57.01 -57.14 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.25 111.149 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -47.86 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 55.53 110.892 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.752 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -54.93 -35.34 64.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.94 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.4 t -63.6 -74.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 42.51 110.84 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -25.78 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 61.42 110.859 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 53' ' ' TYR . 3.8 mt -42.72 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.874 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.689 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -93.31 170.24 8.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.716 . . . . 55.01 110.86 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.6 Cg_endo -69.7 -158.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 70.51 112.342 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -30.86 -52.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.87 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 59' ' ' ASP . 64.2 m -32.53 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 75.41 110.831 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.689 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.9 m80 -61.58 -37.81 85.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 75.01 110.832 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -46.02 -60.28 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.23 110.878 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.478 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 12.8 tp -58.89 -58.95 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 54.54 110.926 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.17 -60.7 5.96 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 50.34 112.483 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.7 p -48.08 -48.17 33.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 64.45 110.832 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -48.04 -53.19 17.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.955 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.478 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 12.9 m-85 -55.4 -47.11 76.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.05 110.895 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.5 ' HA ' HG23 ' A' ' 29' ' ' ILE . 59.8 mt -56.21 -50.25 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.53 111.182 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.2 mt -57.46 -39.0 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.155 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.91 -55.22 35.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.871 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.1 p -55.75 -57.46 11.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 44.33 110.895 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.449 ' HA ' HG23 ' A' ' 33' ' ' THR . 72.7 mt -55.2 -43.78 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 72.03 111.109 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.08 -58.24 14.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 70.3 112.525 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mtm105 -51.61 -55.59 18.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 71.45 110.868 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.705 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -55.36 -58.06 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 51.33 111.072 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.715 ' O ' HG22 ' A' ' 80' ' ' THR . 2.7 m-30 -51.19 -45.81 61.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 62.53 110.899 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 tp -52.08 -56.29 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 65.34 110.967 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -43.96 73.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 63.05 110.836 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG3' HD23 ' A' ' 37' ' ' LEU . 7.4 mm-40 -55.46 -73.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.899 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -52.59 -35.99 55.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 52.13 111.133 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -52.75 -51.3 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 50.45 110.913 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.6 m -55.38 -24.75 31.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.03 110.889 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -115.81 -166.04 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.9 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -87.65 100.07 12.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.865 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 75.55 110.915 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.103 0 CA-C-O 120.884 0.285 . . . . 74.0 112.336 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.553 ' O ' HG23 ' A' ' 93' ' ' THR . . . 175.09 -36.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 53.31 112.462 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -170.93 -174.01 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 72.04 111.146 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -42.34 -51.84 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 71.02 110.873 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -51.43 -61.48 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 71.11 111.109 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 54.6 m80 -53.66 -42.92 68.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.02 110.849 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -51.12 -59.12 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.142 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.696 HD12 HG21 ' A' ' 80' ' ' THR . 76.4 mt -55.11 -46.28 77.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 64.11 111.116 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -55.3 -52.14 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 62.4 110.887 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.5 m -55.19 -53.33 57.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 63.43 111.161 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.76 HD11 HD12 ' A' ' 47' ' ' ILE . 56.5 mt -52.57 -55.99 18.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.915 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.49 -15.68 25.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 73.11 112.507 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.582 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -89.82 -9.36 49.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 61.04 110.909 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.582 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.4 m -124.12 -16.5 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.21 111.104 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.797 HG13 HD12 ' A' ' 109' ' ' LEU . 4.2 tp -50.09 -29.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.431 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -53.68 -71.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.938 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -55.61 -39.03 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 53.05 110.94 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.77 -64.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.909 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.797 HD12 HG13 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -53.84 -69.86 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.925 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.3 p -36.55 -59.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -52.49 -50.71 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 70.51 110.885 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.37 -55.59 29.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.142 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.663 HG12 HG21 ' A' ' 124' ' ' ILE . 7.4 mt -54.53 -49.72 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 70.13 111.098 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.53 -67.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 70.02 111.115 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -49.59 -45.56 48.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 54.24 110.881 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.403 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 5.4 m -55.83 154.19 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 54.03 110.868 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -96.41 -171.39 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.898 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.641 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 4.5 tp-100 -46.91 -51.98 15.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.899 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.53 -67.42 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 116' ' ' SER . 2.1 m80 -47.81 -59.6 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.876 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.96 -38.32 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 63.13 110.859 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -60.99 -44.98 96.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 64.4 110.903 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -57.79 -49.2 77.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.25 110.893 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.663 HG21 HG12 ' A' ' 113' ' ' ILE . 60.7 mt -57.34 -50.02 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 73.32 111.172 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -49.57 -52.16 32.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 75.51 110.869 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.94 -51.83 66.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 65.45 110.901 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.627 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 29.3 tp -52.47 -42.77 64.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.921 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.657 HD11 HG21 ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.55 -48.96 76.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.902 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -53.99 -53.06 58.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 61.23 110.844 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.8 mt -55.5 -42.56 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.03 111.155 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.627 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 30.1 m0 -55.97 -54.06 49.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 65.31 110.918 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.48 -51.99 60.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 63.24 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -55.96 -71.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 64.52 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 54.51 110.867 -179.8 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.431 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.786 0.327 . . . . 63.22 111.136 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.657 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -69.32 -20.84 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 54.14 111.132 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -40.61 -51.71 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.879 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 t -65.2 90.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 64.55 110.833 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -42.04 -27.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 62.32 110.889 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 5.3 t -46.07 -28.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 64.42 110.857 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.714 ' CE1' ' HB2' ' A' ' 151' ' ' ALA . 10.0 p90 -55.63 -60.87 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.42 110.913 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.714 ' HB2' ' CE1' ' A' ' 150' ' ' PHE . . . -67.87 -51.21 50.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 32.53 111.104 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 9.8 mmt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 63.43 110.853 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 28.9 t-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.671 0.748 . . . . 71.24 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -21.55 33.4 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.706 2.271 . . . . 72.44 112.337 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.946 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.863 0.363 . . . . 73.25 110.874 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.53 -28.29 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.3 110.865 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -49.78 -56.86 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 62.35 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.17 -50.34 64.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 70.32 110.886 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.77 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 33.8 t80 -56.09 -70.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.834 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.78 -45.28 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 71.21 111.134 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.442 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.28 -48.39 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 65.41 111.111 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 28' ' ' ARG . 22.7 m -57.86 -52.86 63.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 71.31 111.145 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 11.4 tp -56.14 -55.96 26.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.972 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.67 -60.79 2.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 61.34 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 t -55.04 -30.31 59.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.867 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.916 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -54.28 -67.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.915 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -55.32 -35.07 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.871 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.0 -14.57 9.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.902 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 62.42 110.927 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.623 HD11 ' HG ' ' A' ' 63' ' ' LEU . 33.2 mm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.856 0.36 . . . . 70.05 111.068 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.37 107.75 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 72.2 110.872 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.02 -51.7 52.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 71.13 112.532 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.66 -52.47 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 74.53 110.833 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 13' ' ' THR . 10.4 mpt_? -53.34 -59.12 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 74.14 110.871 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 32' ' ' LEU . 63.3 mt -49.13 -43.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 51.15 111.132 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.633 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.45 -57.79 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 74.05 110.927 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -50.59 -48.42 57.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 74.12 110.89 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD23 ' CD1' ' A' ' 10' ' ' PHE . 4.5 mt -58.04 -52.6 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.924 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 72' ' ' ILE . 3.1 m -57.05 -70.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 71.22 111.148 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.3 t -43.21 -44.28 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 54.12 111.102 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.467 ' N ' HG23 ' A' ' 34' ' ' THR . 13.9 t80 -58.07 -56.42 22.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.888 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.66 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.09 -57.98 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 42.23 111.072 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.711 HD11 ' CB ' ' A' ' 75' ' ' ALA . 1.9 mp -57.69 -46.9 83.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 72.15 110.959 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.46 -28.66 60.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 55.32 110.878 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.636 ' CB ' HD11 ' A' ' 42' ' ' ILE . 34.6 m170 -129.35 83.91 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.12 110.879 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.605 HG22 HG22 ' A' ' 93' ' ' THR . 14.6 mm -77.04 -3.04 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 70.5 111.14 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -89.09 23.85 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 63.11 110.887 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.636 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.5 pt -152.8 29.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.45 111.151 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.679 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.9 OUTLIER -57.79 -35.49 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 75.15 110.896 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -58.73 -73.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 65.52 110.84 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.577 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.73 -46.17 29.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.926 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.77 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 80.5 mt -56.18 -70.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.52 111.156 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.681 HD12 HD11 ' A' ' 101' ' ' LEU . 38.5 mm -47.3 -48.16 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.117 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -57.35 -42.63 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.87 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.5 tp -57.91 -67.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.5 110.939 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.2 pt -46.5 -45.09 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.24 111.107 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.9 mt -56.14 -59.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 75.24 111.181 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -57.13 -50.4 72.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 71.4 110.899 179.827 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.792 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -51.42 -36.78 45.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.32 110.913 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.582 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 9.0 p -63.83 -73.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 52.33 110.852 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.582 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.6 ptt85 -43.56 -33.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.877 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 53' ' ' TYR . 39.8 mt -60.66 -82.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.912 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 58.3 m -50.76 141.15 18.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 72.43 110.885 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -100.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.757 2.304 . . . . 73.54 112.32 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 3.3 p-10 -68.56 -51.58 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 75.15 110.85 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 t -40.01 -48.95 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.876 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.601 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.93 -48.94 79.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.11 110.822 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.49 ' CD ' ' HA ' ' A' ' 112' ' ' ALA . 7.6 mtmp? -39.01 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.31 110.909 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 24' ' ' ILE . 9.8 tp -64.82 -50.16 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.88 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.456 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -54.61 -77.15 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.773 -0.727 . . . . 75.35 112.494 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.8 p -38.98 -52.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 70.54 110.836 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.56 HD21 ' HG ' ' A' ' 109' ' ' LEU . 13.1 mt -46.97 -53.01 13.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.14 110.924 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -57.17 -45.85 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.968 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.39 -55.19 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 73.32 111.108 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.5 mt -56.55 -36.64 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.131 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.495 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -58.0 -56.5 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.835 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -55.98 -62.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.35 110.836 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.405 ' HA ' HG23 ' A' ' 33' ' ' THR . 64.3 mt -52.57 -45.82 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 71.34 111.155 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.91 -60.31 8.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 73.33 112.487 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.68 -54.84 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 72.5 110.891 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.711 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -54.48 -61.81 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 64.34 111.109 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.66 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.3 m-30 -49.56 -43.58 46.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.34 110.902 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 77' ' ' LEU . 2.2 tm? -54.62 -59.62 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.922 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -40.35 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.05 110.918 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.612 ' CD ' HD23 ' A' ' 37' ' ' LEU . 3.8 mm-40 -56.03 -73.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.912 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -55.04 -37.93 67.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 64.43 111.183 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -55.5 -40.89 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 52.14 110.884 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -50.53 -60.19 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 43.04 110.898 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -90.02 -76.23 0.43 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.871 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.9 t -172.83 177.67 2.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 63.04 110.856 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 70.22 110.906 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.129 0 CA-C-O 120.833 0.264 . . . . 72.41 112.338 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.33 -46.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 34.32 112.472 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.605 HG22 HG22 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -156.05 -176.1 5.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.43 111.095 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.551 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.7 p -45.05 -44.9 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 53.02 110.871 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.29 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.12 111.088 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -51.43 -35.11 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 61.43 110.884 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.05 -58.55 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 61.54 111.094 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 76' ' ' TYR . 4.5 mt -55.99 -46.06 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 73.14 111.127 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -56.28 -51.12 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 65.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.4 m -55.19 -52.05 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.145 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.681 HD11 HD12 ' A' ' 47' ' ' ILE . 47.8 mt -52.25 -56.26 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 53.14 110.954 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.46 -16.11 27.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 52.55 112.444 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.549 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -86.61 -12.85 47.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 63.01 110.901 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.549 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.0 m -120.94 -17.89 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.34 111.126 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.784 HG13 HD12 ' A' ' 109' ' ' LEU . 3.0 tp -48.88 -30.07 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.169 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.52 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.09 -71.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 72.22 110.935 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.61 -39.59 70.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.901 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.566 HD22 ' OG ' ' A' ' 54' ' ' SER . 41.7 mt -55.63 -72.27 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.915 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.784 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -51.22 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.15 110.922 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.3 p -37.27 -62.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.87 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -48.87 -49.42 39.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 65.2 110.849 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.49 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -56.07 -58.25 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.108 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.451 HG12 HG21 ' A' ' 124' ' ' ILE . 3.5 mt -52.41 -48.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 61.32 111.137 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.06 -69.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.12 111.107 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HE3' ' HE2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -55.79 -23.97 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 65.42 110.903 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 3.5 m -74.54 147.6 41.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.886 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -97.38 -171.81 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.87 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.568 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.6 pp0? -45.01 -52.65 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.956 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -62.92 -63.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.88 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 116' ' ' SER . 43.4 m170 -49.32 -61.23 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -48.11 -34.82 10.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 63.24 110.891 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -56.49 20.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.875 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -52.27 -48.96 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 62.14 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.451 HG21 HG12 ' A' ' 113' ' ' ILE . 52.0 mt -55.91 -50.75 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.126 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -50.02 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.855 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 tpp -55.8 -52.29 64.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.904 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 70' ' ' ASP . 25.9 tp -50.57 -46.11 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.917 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.595 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.3 -49.81 73.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 63.31 110.909 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -50.7 -50.63 54.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 70.32 110.851 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.6 mt -57.76 -43.99 85.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 65.04 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.631 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 9.8 m0 -52.18 -57.71 8.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 53.31 110.935 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.52 -47.89 75.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.851 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -55.15 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 65.04 110.879 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 65.34 110.878 -179.828 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.52 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.714 0.293 . . . . 73.03 111.124 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.763 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.8 -21.3 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 63.44 111.143 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -44.79 -49.33 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.9 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.5 t -58.57 96.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 72.24 110.86 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -46.77 -28.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.914 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 36.7 t -47.04 -33.41 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.53 110.908 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -56.67 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 64.12 110.874 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -45.34 -49.37 12.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 32.33 111.074 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 1.6 ptm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 72.3 110.874 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.644 0.735 . . . . 72.41 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 1009 ' ' PRO . . . . . 0.414 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.5 Cg_endo -69.8 -20.97 33.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 75.21 112.334 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.907 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.841 0.353 . . . . 73.44 110.88 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' CE2' HG23 ' A' ' 11' ' ' VAL . 1.6 t80 -57.79 -14.86 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.921 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.45 -69.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 70.35 110.962 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.596 HD22 ' HD2' ' A' ' 35' ' ' TYR . 4.2 p-10 -53.3 -46.56 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.897 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 52.3 t80 -53.99 -70.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 62.44 110.872 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.443 HG23 ' CE2' ' A' ' 7' ' ' PHE . 1.2 t -52.64 -42.74 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 71.51 111.153 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.34 -47.59 72.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 64.21 111.124 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.734 HG23 ' HD3' ' A' ' 28' ' ' ARG . 26.7 m -58.13 -53.45 58.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 64.23 111.158 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.576 ' CD1' HD13 ' A' ' 68' ' ' ILE . 18.9 tp -55.04 -51.59 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 52.03 110.889 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.72 -55.01 18.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 51.42 110.864 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 t -57.97 -30.35 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 61.14 110.829 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.669 ' CD2' HD11 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -55.88 -62.16 1.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 75.54 110.941 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -57.55 -37.59 73.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 75.35 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -55.46 -25.26 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 65.22 110.865 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 17' ' ' PHE . 20.7 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 72.21 110.873 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.602 HD11 ' HG ' ' A' ' 63' ' ' LEU . 24.6 mm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.831 0.348 . . . . 75.14 111.106 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -171.02 117.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.816 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.7 -53.43 41.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 44.45 112.496 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 t -47.14 -55.59 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 54.21 110.811 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.734 ' HD3' HG23 ' A' ' 13' ' ' THR . 10.8 mmp_? -54.27 -61.58 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 64.23 110.893 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.5 mt -47.96 -44.05 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 72.14 111.106 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.636 ' O ' HG22 ' A' ' 34' ' ' THR . 17.9 mttp -55.6 -53.03 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.866 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -52.58 -48.4 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.909 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.591 HD23 ' CD1' ' A' ' 10' ' ' PHE . 6.8 mt -58.4 -50.66 72.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 75.53 110.921 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 72' ' ' ILE . 4.7 m -57.32 -71.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 64.22 111.105 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.0 t -41.6 -45.27 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 71.12 111.152 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.596 ' HD2' HD22 ' A' ' 9' ' ' ASN . 17.2 t80 -58.17 -56.57 20.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 74.42 110.905 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.693 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -48.11 -57.6 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 55.33 111.126 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.825 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.5 mp -57.36 -48.69 78.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 70.14 110.918 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -56.4 -24.5 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 53.14 110.898 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CB ' HD11 ' A' ' 42' ' ' ILE . 25.7 m-70 -132.09 83.96 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 44.13 110.84 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.689 ' CG2' HG22 ' A' ' 93' ' ' THR . 14.6 mm -78.09 -2.14 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 70.02 111.114 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -88.63 22.74 2.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.851 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.607 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.3 pt -149.84 27.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.32 111.171 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.3 pm0 -55.9 -35.39 66.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 70.43 110.842 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -73.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 54.22 110.798 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -48.9 -45.4 41.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.882 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.607 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 79.2 mt -54.52 -73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 73.34 111.135 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.835 HD12 HD11 ' A' ' 101' ' ' LEU . 42.9 mm -48.0 -46.68 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.089 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 m -56.53 -44.24 80.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.817 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.436 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.5 tp -57.54 -66.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 71.43 110.914 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.9 pt -47.9 -45.16 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.113 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 104' ' ' VAL . 42.6 mt -55.57 -62.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 50.13 111.136 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -41.96 73.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 74.2 110.862 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.773 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.9 t80 -54.76 -38.94 67.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.918 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.653 ' OG ' HD22 ' A' ' 108' ' ' LEU . 25.1 p -66.48 -64.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.834 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.443 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -60.16 -17.23 39.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 63.41 110.885 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.2 mt -53.48 -80.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.875 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.69 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -93.45 170.08 9.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.537 0.684 . . . . 64.54 110.906 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.6 Cg_endo -69.77 -154.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 64.13 112.311 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.7 OUTLIER -27.37 -56.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 44.25 110.897 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 59' ' ' ASP . 11.0 p -33.0 -76.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.878 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.69 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 16.4 m170 -61.21 -36.12 79.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 71.45 110.909 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.9 mmtp -50.39 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.897 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.602 ' HG ' HD11 ' A' ' 24' ' ' ILE . 18.6 tp -53.44 -60.05 3.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 64.34 110.872 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.484 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -46.8 -52.71 11.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.493 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.8 p -54.57 -53.27 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 73.3 110.836 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.506 HD12 HG12 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -44.6 -52.25 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 73.3 110.931 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.538 ' CD2' HD12 ' A' ' 24' ' ' ILE . 3.0 m-30 -57.04 -49.12 76.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 70.21 110.945 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.669 HD11 ' CD2' ' A' ' 17' ' ' PHE . 31.7 mt -57.41 -56.14 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 71.03 111.147 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mt -55.61 -36.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.13 111.125 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -56.21 24.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.842 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -55.86 -56.23 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.854 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.4 ' HA ' HG23 ' A' ' 33' ' ' THR . 67.4 mt -54.47 -48.08 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 73.04 111.121 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.62 -55.47 24.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 44.1 112.469 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -56.49 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 70.53 110.887 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.825 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -57.06 -59.75 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.21 111.12 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.693 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.4 m-30 -47.02 -48.71 21.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 60.3 110.926 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.476 ' HA ' HD11 ' A' ' 98' ' ' ILE . 36.9 tp -53.52 -61.23 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 72.32 110.926 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -39.68 68.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 61.42 110.848 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.629 ' HG3' HD23 ' A' ' 37' ' ' LEU . 10.6 mm-40 -55.63 -72.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 72.04 110.849 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.4 t -55.66 -42.73 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 71.1 111.119 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -54.31 -37.27 64.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 62.41 110.847 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.79 -30.43 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.868 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -114.42 -74.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 63.14 110.926 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -175.5 137.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.832 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 55.01 110.894 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.817 0.257 . . . . 74.22 112.344 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.23 -52.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 73.43 112.471 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.689 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -156.9 -173.92 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.33 . . . . 73.03 111.133 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 62.7 m -41.8 -42.29 2.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 65.12 110.918 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.98 -69.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 72.13 111.123 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.476 ' HA ' HD22 ' A' ' 99' ' ' ASN . 22.0 t-80 -53.93 -37.95 64.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 70.34 110.848 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.73 -57.41 12.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 42.14 111.077 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.476 HD11 ' HA ' ' A' ' 77' ' ' LEU . 91.9 mt -55.15 -60.88 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 52.44 111.135 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.476 HD22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -52.05 -46.23 65.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 71.13 110.895 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 m -54.41 -57.52 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.54 111.094 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.835 HD11 HD12 ' A' ' 47' ' ' ILE . 5.8 mt -51.91 -54.65 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 63.22 110.971 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.99 -16.07 31.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 73.12 112.474 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.571 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -90.91 -10.43 42.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 74.34 110.886 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.571 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.5 m -122.77 -14.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 72.2 111.133 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.836 HG13 HD12 ' A' ' 109' ' ' LEU . 3.2 tp -49.6 -29.55 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 73.54 111.131 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -51.18 -70.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.923 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -56.24 -40.58 74.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 61.02 110.88 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.653 HD22 ' OG ' ' A' ' 54' ' ' SER . 28.6 mt -56.6 -72.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 70.53 110.9 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.836 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -50.28 -67.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 73.0 110.91 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' LEU . 91.9 p -36.32 -57.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 53.31 110.879 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.58 -51.85 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 71.12 110.906 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.76 -57.65 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 62.54 111.099 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.1 mt -51.15 -56.93 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.43 111.102 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.95 -66.93 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 70.35 111.098 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -49.73 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 63.14 110.937 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.437 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 5.6 m -60.92 161.7 7.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 61.24 110.907 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -100.57 -175.72 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.21 110.877 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.622 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 11.0 tt0 -42.87 -52.19 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.31 110.919 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -62.33 -71.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.35 110.864 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 116' ' ' SER . 11.4 m170 -46.17 -59.18 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.823 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.61 -38.74 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.86 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.06 -44.41 97.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.871 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -57.55 -48.01 80.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 64.13 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.506 HG12 HD12 ' A' ' 66' ' ' LEU . 19.9 mt -57.43 -49.47 80.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.52 111.137 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -55.2 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.871 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -48.25 75.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 62.43 110.878 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.499 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 46.1 tp -53.19 -46.45 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.901 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.441 ' CD1' HG21 ' A' ' 145' ' ' ILE . 1.2 tt -56.31 -49.2 74.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 55.33 110.902 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -52.53 -49.41 64.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 62.43 110.901 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 74.2 mt -57.93 -41.48 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.04 111.077 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.499 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 43.5 m0 -54.39 -57.3 11.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 74.05 110.915 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -55.54 -55.65 29.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 54.24 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -55.73 -71.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.887 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 65.02 110.856 -179.804 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.769 0.318 . . . . 73.14 111.076 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.619 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -69.57 -22.77 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 70.11 111.189 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.66 -53.62 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 60.41 110.901 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.5 p -62.1 98.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.865 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -47.22 -28.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 73.41 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 3.3 m -48.64 -29.54 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 70.05 110.86 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -57.33 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.9 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -41.14 -36.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 53.24 111.125 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 13.4 mtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 62.04 110.884 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.683 0.754 . . . . 52.21 110.842 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.1 26.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 63.42 112.345 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 73.15 110.954 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.872 0.368 . . . . 74.14 110.852 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.461 ' CE2' HG23 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -57.5 -14.53 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.865 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -53.04 -69.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 65.42 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.536 HD22 ' HD2' ' A' ' 35' ' ' TYR . 4.1 p-10 -52.91 -48.06 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.905 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.775 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 46.7 t80 -53.63 -69.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.872 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.461 HG23 ' CE2' ' A' ' 7' ' ' PHE . 1.2 t -52.15 -42.99 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 73.13 111.104 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.68 -48.51 72.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 63.45 111.106 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 28' ' ' ARG . 95.5 m -58.04 -52.84 63.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.42 111.102 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.418 HD23 ' HG ' ' A' ' 49' ' ' LEU . 14.7 tp -56.51 -52.94 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 55.23 110.924 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -49.84 -59.24 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 54.13 110.882 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -55.32 -31.98 62.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.87 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.13 -64.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 74.41 110.832 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -55.11 -36.19 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 53.44 110.886 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.45 -24.41 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.858 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.932 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.484 HD13 ' HG ' ' A' ' 63' ' ' LEU . 7.3 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 63.52 111.146 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.73 122.99 31.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.913 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.2 -42.01 54.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 62.05 112.529 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -51.29 -48.44 62.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 52.45 110.824 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 13' ' ' THR . 6.2 mpt_? -52.89 -60.33 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.919 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.485 ' HA ' HD12 ' A' ' 32' ' ' LEU . 93.1 mt -49.28 -44.19 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.21 111.116 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.651 ' O ' HG22 ' A' ' 34' ' ' THR . 24.9 mtpt -55.67 -53.31 58.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 64.13 110.931 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -51.73 -49.05 63.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.32 110.914 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.523 HD23 ' CD1' ' A' ' 10' ' ' PHE . 6.5 mt -57.37 -50.9 71.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 42.01 110.923 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.402 ' HA ' HG12 ' A' ' 72' ' ' ILE . 20.7 m -57.75 -72.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.473 . . . . 60.45 111.178 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.5 t -41.48 -44.81 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 71.33 111.144 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.536 ' HD2' HD22 ' A' ' 9' ' ' ASN . 25.0 t80 -58.08 -56.74 18.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.447 . . . . 74.12 110.884 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.695 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -48.38 -57.24 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 64.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.711 HD21 ' HB1' ' A' ' 75' ' ' ALA . 2.2 mp -57.55 -46.09 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.34 110.866 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.92 -27.41 52.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 62.03 110.869 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.627 ' CB ' HD11 ' A' ' 42' ' ' ILE . 20.2 m-70 -130.11 83.66 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 63.52 110.881 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.605 HG22 HG22 ' A' ' 93' ' ' THR . 18.4 mm -77.38 -1.46 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 72.44 111.125 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -90.44 18.88 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 62.35 110.894 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.627 HD11 ' CB ' ' A' ' 39' ' ' HIS . 2.1 pt -147.63 31.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 31.32 111.14 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.62 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.6 OUTLIER -58.74 -35.43 72.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 75.1 110.921 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.6 t -58.74 -72.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 62.02 110.814 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.43 -46.81 26.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 53.21 110.881 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.775 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 82.5 mt -56.41 -69.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 75.52 111.089 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.565 HD12 ' CD1' ' A' ' 101' ' ' LEU . 37.7 mm -47.69 -47.76 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 73.42 111.141 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -58.09 -40.73 81.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.809 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' CE2' ' A' ' 10' ' ' PHE . 17.1 tp -58.61 -66.28 0.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 72.04 110.929 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.8 pt -46.66 -45.31 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.02 111.153 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt -55.62 -59.33 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 64.14 111.121 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -49.92 74.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.859 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.545 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -50.49 -36.8 35.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.919 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.664 ' OG ' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -63.82 -74.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 72.54 110.878 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.97 -33.0 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 70.35 110.85 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 53' ' ' TYR . 21.4 mt -57.22 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.921 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -57.31 142.6 75.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 72.22 110.915 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -99.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 74.42 112.314 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' SER . 2.1 p-10 -68.33 -54.13 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 73.53 110.875 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -37.64 -50.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.855 -179.784 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.47 -52.79 64.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 74.22 110.845 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 7.6 mtmp? -34.89 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.87 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.484 ' HG ' HD13 ' A' ' 24' ' ' ILE . 9.2 tp -60.9 -56.75 17.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 45.44 110.888 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.35 -75.28 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 70.3 112.505 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 64' ' ' GLY . 15.2 t -36.56 -62.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 74.2 110.862 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.768 ' CD2' HD23 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -39.19 -53.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 73.41 110.957 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.478 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 7.6 m-30 -58.07 -48.58 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.904 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 89.8 mt -56.47 -56.12 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 72.15 111.166 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mp -55.87 -36.2 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 64.15 111.095 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -56.69 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 54.11 110.859 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 p -56.36 -61.29 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.846 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' A' ' 33' ' ' THR . 64.5 mt -53.12 -42.98 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 75.24 111.176 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.63 -58.99 10.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 72.02 112.482 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -52.15 -54.04 35.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.329 . . . . 74.05 110.844 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.711 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -55.5 -61.28 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.11 111.088 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.695 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.6 m-30 -50.23 -46.61 54.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.932 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 tp -52.48 -54.07 37.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 71.23 110.905 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -42.82 74.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.24 110.867 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.32 -72.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 72.01 110.888 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.65 HG21 HD12 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -53.22 -37.36 61.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 73.42 111.146 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -55.48 -45.74 76.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.908 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -51.22 -67.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.01 110.854 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -72.55 -75.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 64.41 110.908 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 p -179.68 168.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.816 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 74.24 110.894 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.109 0 CA-C-O 120.834 0.264 . . . . 75.12 112.341 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 93' ' ' THR . . . 175.01 -45.3 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 73.32 112.449 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.605 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -164.45 -174.64 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 43.45 111.154 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.6 p -41.19 -48.01 3.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 75.33 110.896 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.05 -67.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 62.22 111.074 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 44.9 m80 -51.51 -36.23 43.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.872 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.62 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.46 -60.71 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 72.32 111.111 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.65 HD12 HG21 ' A' ' 80' ' ' THR . 58.5 mt -53.81 -45.73 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.45 111.119 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -56.07 -53.02 62.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.835 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.8 m -54.57 -53.81 49.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.42 111.134 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.565 ' CD1' HD12 ' A' ' 47' ' ' ILE . 35.4 mt -50.83 -57.15 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 64.21 110.96 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.24 -15.56 23.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 65.45 112.501 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -88.71 -11.47 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 73.21 110.914 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.574 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.1 m -122.67 -16.37 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 62.41 111.122 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.738 HG13 HD12 ' A' ' 109' ' ' LEU . 2.0 tp -48.9 -30.35 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 71.45 111.147 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.409 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -47.43 -70.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.944 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -54.7 -40.67 69.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 63.5 110.905 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.664 HD22 ' OG ' ' A' ' 54' ' ' SER . 34.1 mt -55.72 -75.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.958 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.957 HD13 HD12 ' A' ' 145' ' ' ILE . 0.3 OUTLIER -53.04 -61.81 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.898 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' LEU . 46.1 t -36.32 -69.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 40.01 110.88 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.88 -44.46 29.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 65.1 110.884 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.463 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.45 -56.31 21.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 62.41 111.113 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.2 mt -55.24 -45.21 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.12 111.132 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.01 -68.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.094 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -48.62 64.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 88.8 p -51.86 142.64 14.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 64.32 110.861 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 121' ' ' LYS . 1.1 p30 -93.76 -176.33 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 65.24 110.898 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.624 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 75.0 mt-30 -39.97 -54.0 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 74.41 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -70.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.831 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 13.7 m-70 -46.52 -59.58 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.848 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.78 -38.15 6.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 70.34 110.911 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.43 -45.35 94.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.875 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -57.64 -50.68 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 72.52 110.864 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.679 HG12 HD13 ' A' ' 66' ' ' LEU . 72.6 mt -56.18 -53.1 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 63.13 111.169 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.47 -52.54 21.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.841 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -46.3 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.87 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.768 HD23 ' CD2' ' A' ' 66' ' ' LEU . 18.7 tp -55.29 -48.01 74.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.33 110.885 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.585 HD21 ' HB ' ' A' ' 145' ' ' ILE . 3.2 tp -55.85 -51.72 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 75.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -51.12 -48.16 61.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 72.22 110.847 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.8 mt -56.92 -43.47 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 61.32 111.154 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 49.5 m0 -55.16 -60.68 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 65.04 110.882 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.26 -54.75 41.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 62.31 110.88 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -51.08 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.906 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 64.23 110.857 -179.802 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.735 0.302 . . . . 33.4 111.072 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.957 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.64 -24.34 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.02 111.13 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -43.43 -50.78 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.896 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.46 92.97 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 61.4 110.873 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 152' ' ' MET . 25.2 mmtm -43.98 -33.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.918 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 34.7 m -40.54 -38.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 70.21 110.873 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.501 ' O ' ' C ' ' A' ' 151' ' ' ALA . 16.9 m-85 -58.25 -81.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.9 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 150' ' ' PHE . . . -29.12 -60.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 73.45 111.165 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 148' ' ' LYS . 1.3 ptm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 51.33 110.873 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1008 ' ' ASN . . . . . 0.407 ' HA ' ' HD2' ' B' 1009 ' ' PRO . 51.3 t-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.659 0.742 . . . . 72.41 110.872 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1009 ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' B' 1008 ' ' ASN . 53.6 Cg_endo -69.81 -8.66 24.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 63.13 112.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.921 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.842 0.353 . . . . 74.33 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.449 ' CE2' HG23 ' A' ' 11' ' ' VAL . 3.9 t80 -48.12 -26.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.88 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.61 -56.94 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.907 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.01 -52.38 58.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 71.1 110.882 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.755 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 45.8 t80 -55.38 -70.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.883 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.449 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -47.6 -44.05 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 73.24 111.131 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -52.22 -51.02 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 41.44 111.114 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.569 HG21 ' O ' ' A' ' 28' ' ' ARG . 29.7 m -57.09 -52.55 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 52.11 111.15 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 14' ' ' LEU . 12.4 tp -56.0 -52.62 63.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 75.45 110.94 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -49.92 -55.78 13.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.954 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -57.08 -30.87 64.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 74.51 110.832 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.443 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.52 -62.29 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.844 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 11.6 pttt -57.5 -37.71 73.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.937 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.54 -24.78 34.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 63.15 110.86 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 17' ' ' PHE . 19.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.926 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.852 0.358 . . . . 62.11 111.161 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.99 119.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 53.2 110.832 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.36 -50.0 61.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 73.43 112.466 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -47.02 -57.03 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 63.2 110.865 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.569 ' O ' HG21 ' A' ' 13' ' ' THR . 4.8 mpt_? -51.63 -59.28 4.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 70.03 110.891 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.9 mt -48.86 -43.38 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.633 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -56.18 -56.5 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.88 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -50.86 -49.26 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.883 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 10' ' ' PHE . 13.7 mt -57.52 -52.7 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 54.31 110.945 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.405 ' HA ' HG12 ' A' ' 72' ' ' ILE . 5.1 m -57.46 -71.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 74.13 111.143 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.9 t -41.44 -44.54 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 71.31 111.124 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.489 ' N ' HG23 ' A' ' 34' ' ' THR . 19.1 t80 -59.46 -55.75 30.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 71.15 110.911 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.651 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -48.03 -57.41 5.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 52.03 111.109 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.846 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.2 mp -57.15 -48.88 77.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 63.33 110.888 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.82 -23.62 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 64.21 110.911 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.613 ' CB ' HD11 ' A' ' 42' ' ' ILE . 10.5 m-70 -133.11 84.5 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.2 110.829 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.625 ' CG2' HG22 ' A' ' 93' ' ' THR . 22.1 mm -78.04 -2.34 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 72.42 111.136 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -88.78 24.36 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.845 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.654 HG22 ' CE ' ' A' ' 45' ' ' LYS . 1.3 pt -151.5 27.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 71.34 111.14 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.6 pm0 -56.59 -36.22 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.894 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.416 ' HB2' ' HB2' ' A' ' 91' ' ' PRO . 20.9 t -59.16 -74.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 71.34 110.857 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.654 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.33 -46.31 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 72.22 110.887 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.755 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 87.1 mt -55.86 -73.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 72.14 111.103 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.019 HD12 HD11 ' A' ' 101' ' ' LEU . 41.9 mm -47.2 -48.02 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 45.24 111.107 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -56.79 -44.19 81.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 61.44 110.858 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.7 tp -57.47 -68.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 74.03 110.909 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.4 pt -45.5 -46.39 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 54.31 111.095 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.535 HD13 HG21 ' A' ' 104' ' ' VAL . 47.5 mt -55.45 -59.14 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 73.1 111.115 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.59 -48.24 75.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.885 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.719 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.6 t80 -51.37 -39.28 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 63.43 110.92 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.4 t -64.89 -70.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 74.43 110.839 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -20.94 25.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 63.31 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.2 mt -51.96 -79.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.686 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -87.87 169.83 13.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 50.13 110.866 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.81 -158.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 75.51 112.326 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -30.67 -52.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 61.12 110.881 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 59' ' ' ASP . 13.2 p -32.32 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.849 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.686 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 11.9 m170 -61.77 -40.51 95.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.52 110.859 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.6 mmtt -42.17 -62.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 62.42 110.937 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 15.0 tp -59.21 -55.76 30.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 72.02 110.889 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.26 -64.46 3.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 61.55 112.554 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -44.53 36.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 71.34 110.874 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.586 HD22 ' CD2' ' A' ' 127' ' ' LEU . 0.5 OUTLIER -48.1 -55.37 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 72.43 110.915 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.564 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 14.6 m-85 -55.75 -45.95 77.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.906 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.97 -51.19 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 74.4 111.117 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.592 HG23 HD22 ' A' ' 101' ' ' LEU . 14.0 mt -57.53 -37.78 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.146 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.39 -55.36 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 62.34 110.858 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.7 p -56.65 -57.97 10.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.881 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.405 HG12 ' HA ' ' A' ' 33' ' ' THR . 61.6 mt -54.58 -44.18 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 74.25 111.14 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.57 -62.32 6.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 63.21 112.466 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -53.47 19.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 63.15 110.89 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.846 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -56.19 -59.77 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 62.51 111.113 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.651 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.6 m-30 -49.71 -46.74 50.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 72.31 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -53.21 -63.87 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 70.03 110.954 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -38.79 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 63.14 110.883 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.638 ' HG3' HD23 ' A' ' 37' ' ' LEU . 8.2 mm-40 -55.27 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 71.23 110.919 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 76' ' ' TYR . 2.7 t -52.37 -45.63 65.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 73.41 111.129 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.578 ' CD ' HD12 ' A' ' 77' ' ' LEU . 38.5 mtm180 -50.99 -39.47 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 70.01 110.84 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -52.37 -29.88 26.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 50.03 110.836 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -113.73 -76.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 74.34 110.9 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 m -164.87 122.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.919 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 73.04 110.903 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 44' ' ' SER . 54.3 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.793 0.247 . . . . 75.32 112.376 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.88 -38.84 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 42.33 112.457 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.625 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -156.28 -175.36 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 72.44 111.117 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.441 ' SG ' HD12 ' A' ' 40' ' ' ILE . 82.0 m -47.62 -36.26 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.884 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.92 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 73.31 111.113 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -53.52 -34.79 59.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 50.54 110.877 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.66 -56.42 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.23 111.111 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 77' ' ' LEU . 54.4 mt -57.33 -55.88 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 72.35 111.152 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -43.53 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.1 110.888 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.2 m -56.38 -55.14 37.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 73.24 111.127 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.019 HD11 HD12 ' A' ' 47' ' ' ILE . 3.1 mt -54.74 -53.33 56.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 63.22 110.899 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.11 -15.94 31.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 44.21 112.484 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.62 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -92.48 -8.82 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 72.51 110.906 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.62 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.9 m -124.45 -14.81 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 64.13 111.107 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.829 HG13 HD12 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -50.82 -30.56 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 64.33 111.098 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.461 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -47.55 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.926 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.05 -37.02 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.886 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -55.89 -74.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 61.51 110.925 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.862 HD13 HD12 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -51.5 -64.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.912 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 89.9 p -36.37 -63.75 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 74.2 110.834 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -50.48 -48.65 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.855 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.59 -56.59 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 51.13 111.095 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.578 HG12 HG21 ' A' ' 124' ' ' ILE . 4.1 mt -54.33 -52.41 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 52.32 111.131 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.79 -68.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 42.25 111.09 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.7 -50.09 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.907 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 4.2 m -54.17 158.36 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 72.52 110.895 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -97.72 -175.02 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 50.23 110.908 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.619 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.0 tt0 -44.31 -51.62 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.911 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -62.69 -69.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 64.13 110.872 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 116' ' ' SER . 15.7 m170 -47.3 -59.18 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.31 110.822 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.88 -38.84 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.926 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.3 -44.37 97.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 60.53 110.841 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -57.07 -48.81 77.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.931 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.578 HG21 HG12 ' A' ' 113' ' ' ILE . 69.3 mt -57.43 -50.16 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 54.45 111.091 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -52.66 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.857 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -46.55 81.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 73.01 110.884 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.791 HD12 ' HG3' ' B' 1009 ' ' PRO . 15.8 tp -50.29 -51.97 40.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.949 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.653 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.77 -48.26 78.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 55.01 110.954 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.08 -51.89 39.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.858 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.407 HG21 ' HG2' ' B' 1009 ' ' PRO . 61.9 mt -58.53 -41.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 70.22 111.098 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.567 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 38.7 m0 -50.69 -61.05 2.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 72.15 110.943 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -55.93 -52.46 64.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 61.32 110.833 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -53.29 -70.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.876 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 25.31 110.832 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.78 0.324 . . . . 60.14 111.062 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.862 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -71.15 -25.08 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 73.52 111.152 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 145' ' ' ILE . 9.1 ttt180 -36.53 -45.15 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 64.45 110.84 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.9 t -84.83 108.1 17.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 71.11 110.882 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -50.01 -16.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 73.1 110.909 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' CYS . . . . . 0.412 ' HA ' ' CG ' ' A' ' 152' ' ' MET . 26.5 p -41.5 -37.31 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.902 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.658 ' CD1' ' N ' ' A' ' 151' ' ' ALA . 10.9 p90 -60.01 -53.47 57.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.853 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.658 ' N ' ' CD1' ' A' ' 150' ' ' PHE . . . -58.52 -60.9 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 74.1 111.094 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.412 ' CG ' ' HA ' ' A' ' 149' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 72.24 110.842 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 4.8 p30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.629 0.728 . . . . 62.31 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1009 ' ' PRO . . . . . 0.791 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.8 Cg_endo -69.74 -13.43 34.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 61.11 112.369 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.918 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.767 0.318 . . . . 71.43 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -91.81 73.47 5.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 70.32 110.896 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 57.08 37.12 28.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.91 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -122.94 130.25 52.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 54.21 110.869 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 t0 65.12 38.69 5.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -164.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.925 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -49.85 -26.05 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 54.13 110.851 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -49.85 -58.01 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.905 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.31 -50.5 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 71.34 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.794 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 43.9 t80 -55.3 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 63.41 110.886 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -48.55 -44.47 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 64.33 111.136 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.05 -49.8 65.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.22 111.067 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 28' ' ' ARG . 85.5 m -56.97 -53.58 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 73.43 111.176 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.6 tp -55.96 -52.36 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 50.03 110.957 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.68 -56.05 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.925 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -56.35 -31.67 63.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 72.31 110.86 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.524 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -57.13 -62.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.848 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -56.68 -35.94 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 74.14 110.893 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.21 -22.05 26.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 44.42 110.888 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.55 170.78 11.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.925 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.56 62.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.876 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t 68.96 35.76 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.889 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -89.1 -53.81 2.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.707 -0.758 . . . . 63.41 112.491 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 17' ' ' PHE . 5.0 mt 58.94 80.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 70.15 111.123 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -86.04 131.52 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.51 -34.82 64.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 70.02 112.448 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -48.67 -54.53 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 53.22 110.858 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.58 ' O ' HG21 ' A' ' 13' ' ' THR . 10.6 mpt_? -50.99 -54.92 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 74.24 110.893 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.513 ' HA ' HD12 ' A' ' 32' ' ' LEU . 61.7 mt -50.49 -45.43 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 70.34 111.084 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 34' ' ' THR . 20.5 mtmt -55.67 -54.95 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.31 110.918 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -49.55 -50.06 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.15 110.857 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.2 mt -57.49 -48.55 78.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 62.4 110.952 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.403 ' HA ' HG12 ' A' ' 72' ' ' ILE . 4.4 m -58.03 -70.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 64.5 111.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 35' ' ' TYR . 10.0 t -42.73 -45.11 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 63.04 111.13 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.478 ' N ' HG23 ' A' ' 34' ' ' THR . 7.8 t80 -58.65 -55.05 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 63.3 110.961 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.689 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.08 -57.37 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 75.3 111.111 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.703 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.0 mp -57.58 -46.43 84.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 65.53 110.88 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -56.05 -26.23 48.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 54.23 110.892 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CB ' HD11 ' A' ' 42' ' ' ILE . 68.3 m80 -132.59 85.39 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.865 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.597 HG22 HG22 ' A' ' 93' ' ' THR . 21.0 mm -77.69 -1.29 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 63.34 111.128 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.14 22.46 3.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.841 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.667 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.4 pt -150.81 29.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 63.51 111.135 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.5 OUTLIER -58.4 -33.44 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.924 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -59.48 -73.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 72.11 110.825 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.504 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.96 -47.23 21.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 61.42 110.87 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.794 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 69.7 mt -56.3 -72.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 73.12 111.192 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.812 HD12 HD11 ' A' ' 101' ' ' LEU . 41.9 mm -46.83 -46.37 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 64.3 111.149 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.7 m -58.1 -44.43 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 42.3 110.853 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.497 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.8 tp -56.7 -66.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.22 110.91 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.583 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.9 pt -47.33 -46.07 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 63.34 111.094 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.455 HD13 HG21 ' A' ' 104' ' ' VAL . 46.2 mt -55.33 -57.6 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 74.13 111.12 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -47.08 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 72.24 110.889 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.686 ' HA ' HD12 ' A' ' 56' ' ' LEU . 4.5 t80 -51.18 -40.3 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 72.03 110.923 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 t -65.92 -69.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 70.34 110.869 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -22.69 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.902 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.6 mt -51.29 -78.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 64.23 110.917 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.657 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -89.43 169.26 13.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 62.2 110.916 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.75 -158.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.246 . . . . 72.55 112.334 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' A' ' 58' ' ' PRO . 50.9 t0 -31.12 -50.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 75.53 110.917 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' ASP . 24.9 t -35.09 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.87 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.657 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 7.9 m170 -59.83 -39.37 84.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 45.11 110.833 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -43.58 -62.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 45.15 110.903 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.414 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 17.4 tp -57.47 -54.99 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.903 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.42 -64.57 3.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 71.32 112.513 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -48.79 -45.08 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 72.14 110.859 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -48.53 -53.98 16.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 72.42 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.414 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 11.0 m-85 -56.1 -46.3 79.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.887 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.482 HD13 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -56.76 -54.07 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 72.13 111.154 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 65' ' ' SER . 5.1 mt -57.12 -37.11 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 71.31 111.113 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.75 -56.18 23.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 64.11 110.849 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.85 -55.4 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 61.22 110.87 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 33' ' ' THR . 81.5 mt -55.25 -46.95 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 72.22 111.15 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.29 -56.13 23.09 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 74.32 112.495 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.622 ' HG2' HD21 ' A' ' 136' ' ' LEU . 3.4 mtm105 -50.9 -57.43 8.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 53.33 110.874 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.703 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -55.62 -56.62 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 63.31 111.122 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.689 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.2 m-30 -49.81 -52.2 34.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.93 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.65 HD22 ' HA ' ' A' ' 136' ' ' LEU . 4.8 tp -50.25 -55.8 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 65.12 110.903 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.96 -43.54 73.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.868 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.533 ' HG3' HD23 ' A' ' 37' ' ' LEU . 10.4 mm-40 -55.85 -69.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.895 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 76' ' ' TYR . 4.9 t -55.09 -41.38 71.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 62.41 111.12 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -54.75 -40.56 69.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.2 m -51.62 -29.72 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 55.02 110.837 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -107.43 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 65.31 110.885 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 p -176.86 114.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 65.02 110.839 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -81.77 102.89 11.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 54.54 110.864 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 p -140.75 142.66 34.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.889 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 p -168.9 173.28 7.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 70.13 110.891 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -139.01 -63.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 61.13 110.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -154.08 157.08 38.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.897 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt 64.34 153.85 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 75.24 110.927 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.3 Cg_endo -69.73 174.73 9.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 63.41 112.35 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 93' ' ' THR . . . 172.51 -40.45 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.799 -0.715 . . . . 54.41 112.528 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.597 HG22 HG22 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -166.34 -173.72 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 65.15 111.139 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.462 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.3 m -42.29 -53.65 4.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.854 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.96 -64.21 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 74.42 111.127 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 62.4 m-70 -53.06 -37.5 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.907 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 94' ' ' CYS . . . -55.57 -61.87 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 64.21 111.063 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.1 mt -53.12 -45.7 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 71.11 111.096 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -56.21 -50.93 69.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 71.52 110.909 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.4 m -55.15 -51.66 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 74.42 111.166 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.812 HD11 HD12 ' A' ' 47' ' ' ILE . 21.9 mt -54.15 -52.35 61.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.903 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.82 -15.76 28.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 72.13 112.452 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.62 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -91.93 -7.37 49.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 75.52 110.863 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.62 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.6 m -125.87 -14.37 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.116 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.836 HG13 HD12 ' A' ' 109' ' ' LEU . 3.3 tp -49.25 -30.09 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.03 111.143 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.421 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -51.79 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.912 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -55.27 -40.09 70.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.0 -69.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 55.32 110.91 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.836 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -51.87 -69.48 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 71.41 110.948 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 109' ' ' LEU . 77.9 p -34.85 -60.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.86 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -52.66 -53.11 51.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 61.34 110.863 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.69 -57.21 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 55.44 111.062 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 124' ' ' ILE . 3.7 mt -55.67 -49.73 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 52.4 111.132 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.87 -66.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 55.35 111.118 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -25.87 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.33 110.92 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.412 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 9.8 m -79.17 157.19 27.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 44.5 110.853 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.41 -176.02 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.941 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.6 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 66.8 tt0 -38.05 -52.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 72.1 110.863 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.74 -74.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.862 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -45.76 -58.39 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.788 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.06 -38.38 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 64.22 110.936 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -62.01 -45.16 94.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 71.12 110.915 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -57.59 -49.18 77.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 61.43 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.64 HG21 HG12 ' A' ' 113' ' ' ILE . 61.4 mt -57.43 -49.9 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 71.4 111.128 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -50.59 -52.28 40.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.897 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.8 ttm -56.59 -51.53 68.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 54.01 110.892 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.584 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 18.5 tp -51.68 -46.28 63.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 61.44 110.952 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.455 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.8 OUTLIER -56.19 -47.9 77.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 72.15 110.937 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.45 -51.82 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.14 110.859 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.4 mt -56.78 -41.68 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 72.3 111.113 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.584 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 21.2 m0 -54.48 -58.71 6.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.933 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -54.87 -48.92 72.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 63.23 110.867 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -55.27 -56.51 19.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 73.1 110.877 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.1 t -53.07 -61.23 2.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.832 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 125.18 35.45 0.62 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 74.12 112.473 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.65 ' HA ' HD22 ' A' ' 77' ' ' LEU . 3.6 mp -71.56 -77.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 53.13 110.888 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -94.53 82.95 4.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 62.4 110.884 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -74.41 68.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 64.12 110.887 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -117.14 12.43 14.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.902 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.4 m 59.66 49.67 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 61.52 110.873 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 56.46 92.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.41 110.919 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.882 HD13 ' H ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -58.74 155.73 12.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 61.24 110.941 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.476 ' O ' ' O ' ' A' ' 144' ' ' ALA . 80.4 m-20 -42.39 -39.96 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 63.14 110.881 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.85 ' HB3' HD23 ' A' ' 142' ' ' LEU . . . -33.85 -95.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 65.44 111.125 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.624 HD11 HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -70.53 -20.37 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 65.05 111.168 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.463 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 10.0 ttt180 -38.09 -54.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 63.11 110.853 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 96.2 p -71.46 99.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 55.25 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -43.8 -26.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 73.41 110.878 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 5.5 m -46.98 -27.48 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 72.13 110.882 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.709 ' CG ' ' N ' ' A' ' 151' ' ' ALA . 10.6 p90 -55.24 -60.18 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.932 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.709 ' N ' ' CG ' ' A' ' 150' ' ' PHE . . . -66.73 -44.4 81.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 64.12 111.124 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 9.5 mmt -53.99 -44.47 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.912 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.73 -61.35 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 63.43 110.807 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.626 HD13 HG22 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -62.0 -24.9 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.921 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 97.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 51.34 110.925 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.26 -174.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 72.52 110.844 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -63.27 99.37 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 71.31 110.862 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -172.8 147.59 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 62.23 110.851 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -78.55 161.07 27.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.25 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -171.26 -177.06 2.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.847 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.887 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 74.52 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 26.6 t0 -80.95 95.27 6.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.1 110.863 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 4.6 t0 -159.04 33.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.875 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 53.79 41.1 32.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 71.12 110.903 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -63.62 177.89 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 75.13 110.853 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 61.99 82.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 54.31 112.518 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 14.3 t80 -94.33 112.77 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.844 0.354 . . . . 65.44 110.901 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -94.46 136.89 22.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 72.44 110.908 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -25.56 28.61 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.692 2.262 . . . . 72.52 112.371 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -14.19 60.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.975 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 11.9 p -130.0 118.79 22.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 74.53 111.165 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 8.2 tt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 44.15 110.929 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.4 mmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.703 0.287 . . . . 52.33 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -147.87 171.09 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.945 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -74.23 -22.14 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 43.12 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -55.4 -26.33 40.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.831 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -133.29 70.94 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 60.12 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -105.01 -164.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 63.42 110.877 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -44.23 -35.53 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.863 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -55.02 -54.84 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -52.94 -50.98 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 60.02 110.917 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.801 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 38.8 t80 -55.57 -70.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 75.51 110.852 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -48.01 -44.1 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 72.53 111.117 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.2 -50.79 63.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.43 111.049 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.59 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.1 m -56.98 -52.54 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.11 111.161 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 14.3 tp -55.6 -54.67 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 61.12 110.933 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -50.15 -56.74 9.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 62.51 110.857 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 t -56.75 -29.95 63.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 74.1 110.86 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.492 ' CD2' HD11 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -55.76 -63.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.842 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -56.93 -37.27 71.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 63.31 110.906 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -55.78 -28.34 55.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.861 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 17' ' ' PHE . 15.8 mt -54.64 175.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.905 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -24.81 21.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.921 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 p -111.52 -52.24 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.901 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.616 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 114.08 23.74 4.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 34.33 112.497 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.678 HD11 ' HG ' ' A' ' 63' ' ' LEU . 22.2 mm -138.43 141.62 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.347 . . . . 73.24 111.139 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.3 122.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 61.24 110.861 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.38 -62.09 6.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 43.52 112.465 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m -49.38 -47.77 47.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 71.44 110.864 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.59 ' O ' HG21 ' A' ' 13' ' ' THR . 9.5 mpt_? -54.49 -68.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 71.45 110.914 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -47.95 -43.15 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.112 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.65 ' O ' HG22 ' A' ' 34' ' ' THR . 20.0 mttt -55.65 -54.13 47.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.926 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -51.51 -48.13 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.53 110.901 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD23 ' CD1' ' A' ' 10' ' ' PHE . 16.6 mt -57.75 -51.62 68.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.921 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.428 HG23 ' HA ' ' A' ' 72' ' ' ILE . 6.1 m -57.6 -71.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.4 111.126 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.6 t -42.18 -45.34 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 65.41 111.101 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.483 ' N ' HG23 ' A' ' 34' ' ' THR . 27.1 t80 -58.33 -53.79 54.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 72.21 110.928 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.699 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -50.13 -57.8 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 73.24 111.078 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.643 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.5 mp -57.33 -46.87 82.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.866 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -55.9 -25.56 43.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 63.45 110.863 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.631 ' HB2' HD11 ' A' ' 42' ' ' ILE . 30.5 m-70 -131.0 83.7 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 73.42 110.848 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.619 HG22 HG22 ' A' ' 93' ' ' THR . 17.5 mm -78.88 -1.66 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.119 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -90.29 15.34 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 73.1 110.881 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.631 HD11 ' HB2' ' A' ' 39' ' ' HIS . 3.0 pt -143.25 29.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 61.41 111.151 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.696 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.2 pm0 -57.95 -36.94 73.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.878 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 t -58.4 -72.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 64.22 110.874 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.84 -47.31 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 63.13 110.897 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.801 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 84.4 mt -55.8 -70.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.25 111.129 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.637 HD12 HD11 ' A' ' 101' ' ' LEU . 38.8 mm -47.46 -47.06 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 63.54 111.148 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -58.16 -41.91 84.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.896 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.531 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.0 tp -57.85 -66.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 71.35 110.891 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.514 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.4 pt -47.59 -45.94 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 72.41 111.117 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -55.91 -60.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 63.41 111.133 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -56.39 -51.08 69.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.857 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.773 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -51.01 -36.01 37.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.919 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.622 ' OG ' HD22 ' A' ' 108' ' ' LEU . 4.3 p -63.69 -72.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.878 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.601 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.0 ptt85 -44.38 -32.85 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 73.24 110.85 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 53' ' ' TYR . 45.1 mt -60.8 -81.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.899 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 55.6 m -51.83 141.29 27.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.615 0.721 . . . . 71.33 110.853 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -99.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 75.4 112.363 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -68.34 -53.63 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.933 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.8 m -38.3 -49.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 43.33 110.87 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.595 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.7 -51.65 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.02 110.87 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.706 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.4 mtmp? -37.83 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.876 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.678 ' HG ' HD11 ' A' ' 24' ' ' ILE . 9.4 tp -62.85 -55.17 28.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 75.22 110.924 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.488 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -49.65 -76.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 70.34 112.526 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' GLY . 19.2 t -36.6 -59.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.969 0.414 . . . . 70.55 110.858 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.801 HD22 HD23 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -40.59 -54.5 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.948 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.602 ' CD2' HD12 ' A' ' 24' ' ' ILE . 3.3 m-30 -57.4 -48.77 78.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 73.15 110.941 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.492 HD11 ' CD2' ' A' ' 17' ' ' PHE . 69.3 mt -55.87 -55.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 65.12 111.169 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.8 mt -55.37 -37.31 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.117 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -58.41 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 55.03 110.88 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -53.84 -62.09 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 61.24 110.843 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.428 ' HA ' HG23 ' A' ' 33' ' ' THR . 58.5 mt -52.06 -47.4 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 74.23 111.126 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.733 ' HA3' HD11 ' A' ' 136' ' ' LEU . . . -54.84 -55.23 28.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 54.33 112.538 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -56.81 11.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 73.34 110.918 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.643 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -56.08 -59.64 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.41 111.098 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.699 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.5 m-30 -48.6 -46.49 39.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.94 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 136' ' ' LEU . 29.5 tp -53.68 -56.4 17.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.915 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.2 -41.14 71.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 43.34 110.834 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.16 -72.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 62.12 110.864 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -55.18 -35.95 65.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.176 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -55.21 -44.65 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.861 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.62 -64.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 71.4 110.902 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -75.07 -75.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 65.23 110.862 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.18 146.33 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.901 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.72 35.3 3.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.904 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.57 89.65 6.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.862 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -134.19 177.35 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 63.31 110.82 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.4 t -125.55 -169.45 2.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 72.25 110.862 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -56.23 170.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.896 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 63.09 160.59 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 73.32 110.893 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.6 Cg_endo -69.73 177.42 5.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.714 2.276 . . . . 64.32 112.364 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 93' ' ' THR . . . 167.46 -41.41 0.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 71.32 112.469 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.619 HG22 HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -171.52 -174.02 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 62.01 111.158 -179.865 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 p -40.65 -50.81 3.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.87 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.36 -61.94 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.23 111.054 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 61.4 m-70 -53.82 -39.9 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.886 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -53.71 -60.15 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 64.43 111.125 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.604 HD12 HG21 ' A' ' 80' ' ' THR . 50.7 mt -54.74 -45.24 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 53.41 111.126 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -55.42 -54.41 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.871 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.2 m -54.73 -49.83 69.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 75.02 111.124 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.637 HD11 HD12 ' A' ' 47' ' ' ILE . 38.2 mt -55.22 -56.94 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.898 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.91 -15.35 27.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 72.35 112.497 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.591 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -90.51 -8.6 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 64.22 110.899 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.591 HG13 ' HG2' ' A' ' 103' ' ' GLU . 4.2 m -123.94 -19.99 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 72.05 111.129 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.814 HG13 HD12 ' A' ' 109' ' ' LEU . 4.0 tp -46.63 -30.81 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 62.21 111.137 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.477 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -48.29 -74.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.3 110.95 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -51.51 -39.94 58.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 54.2 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.622 HD22 ' OG ' ' A' ' 54' ' ' SER . 51.3 mt -56.14 -71.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 60.22 110.918 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.814 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -52.14 -64.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.944 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 5.0 m -35.88 -64.9 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.843 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -49.4 -48.62 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 73.02 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.451 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.83 -57.2 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 60.41 111.115 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.687 HG22 ' CD1' ' A' ' 154' ' ' LEU . 2.7 mt -55.72 -45.14 79.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 75.14 111.1 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.1 -66.49 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 74.04 111.133 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -55.57 -56.3 21.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.32 110.91 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 77.3 p -39.06 143.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.868 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -92.4 -174.33 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.838 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.588 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.2 pp0? -43.33 -52.11 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.54 -68.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.477 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 12.1 m170 -47.94 -59.71 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.847 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -46.15 -37.53 7.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 75.25 110.904 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -60.89 -46.3 91.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.931 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -57.83 -49.12 77.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 72.23 110.933 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.652 HG12 HD13 ' A' ' 66' ' ' LEU . 57.8 mt -56.6 -49.85 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.114 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -50.93 -51.35 53.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 72.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.48 -50.89 68.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 63.45 110.85 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.801 HD23 HD22 ' A' ' 66' ' ' LEU . 38.3 tp -53.41 -43.67 68.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 52.34 110.925 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.73 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.5 OUTLIER -56.59 -48.82 76.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.51 110.903 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.49 -50.74 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 76.1 mt -57.38 -41.01 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 74.25 111.145 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.572 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 26.5 m0 -54.98 -59.22 5.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.96 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -55.33 -51.74 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 63.4 110.865 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -55.53 -69.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.867 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.5 t -55.11 -73.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.13 110.838 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 141.82 109.49 0.75 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 55.55 112.501 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.733 HD11 ' HA3' ' A' ' 73' ' ' GLY . 56.0 tp -123.2 -73.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 70.44 110.87 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -102.8 -53.89 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.898 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -154.15 167.55 29.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 64.31 110.864 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.91 75.61 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.864 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.54 49.8 20.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 61.45 110.862 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -117.95 4.65 12.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 74.33 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.609 HD13 HD11 ' A' ' 145' ' ' ILE . 2.1 mt -65.57 88.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 71.5 110.909 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -39.1 -39.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.24 110.889 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -41.82 -91.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 73.32 111.1 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.73 ' CB ' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -64.03 -27.08 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 72.11 111.162 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -39.48 -52.36 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.859 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 94.5 p -58.42 98.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 71.43 110.862 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -47.21 -28.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.926 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 48.5 t -47.76 -30.35 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.824 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -55.57 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 72.24 110.876 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.499 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -46.79 -45.98 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 53.42 111.165 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.406 ' CG ' ' N ' ' A' ' 153' ' ' ASP . 1.1 ptm -54.14 -46.72 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.903 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 152' ' ' MET . 22.3 t70 -66.49 -67.95 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 51.44 110.854 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.687 ' CD1' HG22 ' A' ' 113' ' ' ILE . 0.7 OUTLIER -49.76 -31.38 11.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 61.0 110.911 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.63 101.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.853 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -70.45 -171.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 71.41 110.848 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -54.74 105.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 71.51 110.848 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -171.1 -179.21 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 61.13 110.877 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -142.64 163.42 32.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 73.2 110.872 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -173.22 167.26 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.816 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.832 0.349 . . . . 63.22 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -161.31 26.45 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -131.86 -50.84 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 71.3 110.824 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -175.23 -66.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.905 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 53.79 66.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 64.01 110.858 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 178.69 40.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 30.23 112.457 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.64 131.08 40.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 75.31 110.981 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -108.21 137.04 19.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.707 . . . . 65.51 110.881 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1009 ' ' PRO . . . . . 0.416 ' HG3' HD13 ' A' ' 127' ' ' LEU . 53.9 Cg_endo -69.77 -18.52 36.91 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.711 2.274 . . . . 64.21 112.373 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.88 -19.76 58.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 61.54 110.908 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 10.6 p -142.15 120.18 12.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 62.31 111.125 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.864 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mtt . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.76 0.314 . . . . 72.34 110.831 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -145.49 -179.79 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.922 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -121.64 58.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 65.03 110.895 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -105.45 -26.41 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 71.42 110.831 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -140.13 60.81 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 63.13 110.851 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.77 -163.24 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 50.24 110.85 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' A' ' 11' ' ' VAL . 3.0 t80 -49.96 -25.11 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.854 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -48.72 -58.05 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 54.01 110.88 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.1 -51.66 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 63.51 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.793 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 32.3 t80 -55.94 -70.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 72.34 110.911 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.471 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -47.77 -45.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.34 111.104 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.24 -50.08 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.43 111.05 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.544 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.4 m -57.07 -53.41 58.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 72.13 111.127 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD23 ' HG ' ' A' ' 49' ' ' LEU . 12.0 tp -56.32 -53.83 52.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 71.32 110.933 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.0 -59.71 3.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 72.43 110.848 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -56.07 -30.44 61.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.861 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.445 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.1 t80 -56.84 -63.73 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.03 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -56.77 -37.29 70.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 64.42 110.935 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -55.69 -29.03 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.889 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 17' ' ' PHE . 18.2 mt -51.53 161.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.915 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -24.87 66.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 72.14 110.888 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 t -120.48 -50.71 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.825 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.59 31.6 3.17 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.69 -0.767 . . . . 52.51 112.469 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.719 HD11 ' HB3' ' A' ' 63' ' ' LEU . 2.5 mp -138.78 138.08 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 73.44 111.109 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 120.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 64.54 110.884 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.44 -47.43 76.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 74.24 112.53 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 t -45.4 -59.62 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 64.32 110.845 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.544 ' O ' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -51.72 -58.83 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.853 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.589 ' HA ' HD12 ' A' ' 32' ' ' LEU . 78.9 mt -49.12 -45.55 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 73.22 111.14 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 34' ' ' THR . 7.7 mmtp -53.03 -57.14 11.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.873 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -47.5 61.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 54.55 110.895 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 29' ' ' ILE . 4.7 mt -58.61 -52.4 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 62.55 110.921 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.471 HG23 ' HA ' ' A' ' 72' ' ' ILE . 1.9 m -56.51 -69.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.168 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.1 t -44.85 -44.92 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 55.3 111.156 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.475 ' N ' HG23 ' A' ' 34' ' ' THR . 24.5 t80 -58.1 -58.95 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.9 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.731 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -46.77 -57.35 4.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 54.32 111.094 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.583 HD21 ' HB1' ' A' ' 75' ' ' ALA . 5.0 mp -57.07 -48.42 78.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 65.24 110.963 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -55.94 -25.31 42.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 64.55 110.858 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.63 ' CB ' HD11 ' A' ' 42' ' ' ILE . 12.1 m-70 -129.9 83.36 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.14 110.804 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.619 HG22 HG22 ' A' ' 93' ' ' THR . 20.7 mm -77.89 -1.27 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 73.25 111.172 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -90.3 18.11 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 55.43 110.863 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.63 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.6 pt -147.57 30.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 60.24 111.094 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.5 pm0 -57.75 -36.76 72.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.841 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 t -57.64 -74.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 64.41 110.841 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.67 -46.36 19.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.872 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.793 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 78.6 mt -56.72 -70.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.12 111.118 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.533 HD12 ' HG ' ' A' ' 101' ' ' LEU . 36.3 mm -46.72 -49.17 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 53.44 111.148 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -42.24 82.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 72.45 110.813 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.504 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.1 tp -57.3 -66.7 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.913 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.527 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.5 pt -46.85 -45.84 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.141 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -56.43 -57.9 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.101 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -57.02 -49.62 75.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 64.22 110.826 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.775 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -51.36 -37.08 46.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.929 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.578 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 9.3 p -63.04 -72.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 64.41 110.863 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.578 ' N ' ' OG ' ' A' ' 54' ' ' SER . 7.7 ptt85 -45.11 -32.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 72.43 110.916 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 53' ' ' TYR . 38.8 mt -60.75 -84.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.918 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -50.65 141.15 17.92 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.589 0.709 . . . . 65.54 110.9 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -100.36 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 73.43 112.349 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -68.95 -53.27 21.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 52.51 110.856 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -38.44 -50.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 53.24 110.868 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -57.05 -52.19 66.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 71.3 110.864 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.756 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.9 mtmp? -36.78 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 64.4 110.915 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.77 HD12 ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -61.51 -58.13 9.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.918 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.96 -76.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.493 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' GLY . 21.3 t -35.79 -58.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 74.34 110.827 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -41.38 -55.12 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 75.1 110.918 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.77 ' CE2' HD12 ' A' ' 63' ' ' LEU . 8.1 m-85 -56.45 -45.99 80.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.2 110.958 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.94 -56.0 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 71.51 111.137 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 105' ' ' ILE . 36.9 mt -55.91 -36.85 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 64.51 111.156 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -57.18 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 73.24 110.835 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -64.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 61.34 110.847 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.471 ' HA ' HG23 ' A' ' 33' ' ' THR . 83.3 mt -55.33 -33.98 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 63.42 111.123 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.26 -69.43 1.28 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.72 . . . . 74.51 112.465 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.671 ' NH1' HD12 ' B' 1012 ' ' LEU . 3.3 ptt85 -55.19 -38.46 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 72.33 110.858 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.583 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -60.02 -61.0 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 72.21 111.096 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.731 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 3.0 m-30 -53.81 -46.86 71.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 71.5 110.936 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.404 HD11 ' HZ1' ' A' ' 139' ' ' LYS . 15.0 tp -52.38 -53.82 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 74.33 110.906 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -43.72 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.898 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.23 -71.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -53.1 -40.06 63.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 55.34 111.125 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -55.46 -37.64 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.878 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -50.11 -32.92 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 61.41 110.873 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -119.67 -76.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 70.02 110.843 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -166.62 164.64 16.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.839 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -98.22 -169.85 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 62.44 110.871 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.443 ' H ' ' HB1' ' A' ' 95' ' ' ALA . 1.7 t -136.69 -169.46 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 53.31 110.877 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.4 t -63.6 -169.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.45 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.9 p -145.64 94.4 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 73.31 110.815 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -170.26 -62.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 62.34 110.912 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 159.3 40.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.586 0.708 . . . . 62.24 110.886 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.3 Cg_endo -69.81 163.57 37.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 73.35 112.323 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 93' ' ' THR . . . 176.8 -37.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 54.52 112.49 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.619 HG22 HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -168.77 -174.54 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 72.22 111.169 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -42.33 -50.68 5.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 73.34 110.834 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' HB1' ' H ' ' A' ' 86' ' ' SER . . . -50.81 -64.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.12 111.086 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 42.7 m80 -51.43 -41.54 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 72.52 110.827 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.621 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -54.62 -57.28 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 31.13 111.128 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.772 HG23 ' CE1' ' A' ' 137' ' ' PHE . 20.2 mt -52.21 -49.89 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 63.41 111.088 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -55.27 -54.98 36.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.893 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.6 m -50.04 -57.13 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.124 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.533 ' HG ' HD12 ' A' ' 47' ' ' ILE . 62.7 mt -49.69 -59.56 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.912 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.55 -14.43 21.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.675 -0.774 . . . . 34.43 112.493 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.545 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -88.09 -11.22 47.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 70.11 110.893 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.545 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.9 m -123.11 -20.61 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 72.42 111.107 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.773 HG13 HD12 ' A' ' 109' ' ' LEU . 3.5 tp -47.72 -30.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.24 111.136 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.462 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -49.1 -69.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 61.04 110.895 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.44 -39.83 73.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 105' ' ' ILE . 77.4 mt -55.09 -67.33 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.957 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.773 HD12 HG13 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -53.4 -63.82 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 54.25 110.862 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' LEU . 66.2 p -37.52 -67.25 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 50.42 110.905 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -48.2 -46.1 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.869 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.451 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -56.38 -59.05 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 73.33 111.064 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.73 HG22 HD13 ' A' ' 154' ' ' LEU . 2.4 mt -52.76 -50.07 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 73.33 111.112 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.18 -69.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.125 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -30.31 16.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 55.41 110.913 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.414 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 3.3 m -69.72 150.51 46.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.844 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -98.51 -172.86 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.889 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.633 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.6 mt-30 -44.52 -51.78 8.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 71.53 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -63.06 -66.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.414 ' HB2' ' HB3' ' A' ' 116' ' ' SER . 43.2 m170 -48.59 -59.92 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 73.15 110.904 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.2 OUTLIER -45.91 -38.4 7.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.888 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -45.7 93.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 75.31 110.885 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -58.14 -50.08 74.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 62.25 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.619 HG12 HD13 ' A' ' 66' ' ' LEU . 52.6 mt -57.6 -48.9 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.01 111.129 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -52.0 -51.08 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 73.54 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.1 ttm -55.63 -54.24 46.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 52.4 110.866 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.814 HD12 ' HG3' ' B' 1009 ' ' PRO . 10.9 tp -50.36 -45.55 55.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 55.32 110.921 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.697 HD11 HD12 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -57.15 -49.12 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.889 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -51.7 -50.7 59.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 74.2 110.891 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.548 HG21 ' HG2' ' B' 1009 ' ' PRO . 62.4 mt -59.18 -39.53 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 64.13 111.135 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.695 ' CD2' HD22 ' A' ' 136' ' ' LEU . 38.4 m0 -52.36 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 74.3 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -55.75 -49.16 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.855 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -55.36 -71.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.858 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.0 t -56.6 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.843 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 167.17 139.36 2.65 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 53.44 112.472 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.695 HD22 ' CD2' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -175.74 -168.57 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 72.21 110.926 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.772 ' CE1' HG23 ' A' ' 98' ' ' ILE . 7.8 m-30 -51.19 -31.07 18.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.905 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.529 HE22 HD23 ' A' ' 128' ' ' LEU . 16.4 mt-30 -69.78 85.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.21 110.923 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.404 ' HZ1' HD11 ' A' ' 77' ' ' LEU . 4.9 mmpt? -60.35 -19.48 55.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.893 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 64.9 m -162.56 -42.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 63.44 110.873 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -173.8 111.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 74.44 110.937 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.743 HD21 HG21 ' A' ' 105' ' ' ILE . 6.7 tp -68.84 107.19 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.951 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.433 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 5.4 t-20 -40.94 -39.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.886 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -40.31 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 55.11 111.122 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.697 HD12 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -65.09 -27.99 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.1 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.433 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 0.8 OUTLIER -36.44 -53.48 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.852 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.5 t -50.95 102.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -47.86 -29.74 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 55.21 110.915 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.25 -30.97 19.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 65.45 110.911 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -55.92 -87.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 70.23 110.826 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.524 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -48.44 -43.34 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 73.1 111.131 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.442 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 12.3 mtp -53.76 -50.91 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 55.54 110.894 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -63.68 -67.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.879 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.73 HD13 HG22 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -49.55 -32.41 12.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.911 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -48.46 101.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.4 110.865 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -63.85 -32.37 73.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 70.4 110.838 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -51.93 140.96 18.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 62.23 110.849 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -80.44 154.7 27.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 72.23 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -110.14 174.1 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 74.45 110.883 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -52.42 169.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.3 110.823 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.853 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.739 0.304 . . . . 75.4 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -101.02 28.61 5.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 75.03 110.818 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.19 30.22 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 71.22 110.85 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.22 -75.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 65.43 110.832 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 54.52 76.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 106.27 93.59 2.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.723 . . . . 62.51 112.507 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -119.57 147.96 43.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.379 . . . . 62.1 110.952 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1008 ' ' ASN . . . . . 0.513 ' O ' HG22 ' B' 1011 ' ' THR . 2.7 t-20 -82.27 137.1 45.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 61.23 110.933 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1009 ' ' PRO . . . . . 0.814 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.8 Cg_endo -69.75 -23.57 30.71 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.678 2.252 . . . . 71.13 112.321 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1010 ' ' TYR . . . . . 0.404 ' CD2' HG23 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -57.57 -19.59 26.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.884 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1011 ' ' THR . . . . . 0.513 HG22 ' O ' ' B' 1008 ' ' ASN . 1.4 t -41.83 -47.82 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 62.23 111.17 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.671 HD12 ' NH1' ' A' ' 74' ' ' ARG . 42.5 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.983 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.9 mtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.733 0.301 . . . . 52.45 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -135.3 126.72 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.904 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -102.39 40.64 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 72.02 110.937 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.34 -25.25 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.49 -22.09 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 64.21 110.863 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.67 -97.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 52.2 110.874 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -55.97 -31.83 63.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.864 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -57.12 -56.86 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 65.45 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.76 -51.76 62.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 64.11 110.836 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.782 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 28.9 t80 -55.07 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.873 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -48.33 -44.02 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 75.02 111.106 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.23 -49.86 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 34.04 111.11 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.534 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.1 m -56.84 -52.87 63.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 75.0 111.153 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD1' HD13 ' A' ' 68' ' ' ILE . 11.8 tp -55.9 -54.47 44.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.955 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -50.08 -58.47 5.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.882 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -56.91 -28.93 62.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 64.32 110.868 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.745 ' CD2' HD11 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -56.16 -62.92 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.923 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -57.59 -36.21 71.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 71.13 110.898 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -54.76 -24.55 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 65.1 110.842 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.531 HD12 ' HD1' ' A' ' 17' ' ' PHE . 20.9 mt -54.64 177.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.942 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -16.88 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 71.31 110.882 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -125.73 -54.66 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 71.01 110.833 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.56 ' C ' HD12 ' A' ' 24' ' ' ILE . . . 110.1 35.46 2.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 62.12 112.483 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.56 HD12 ' C ' ' A' ' 23' ' ' GLY . 4.3 mp -148.21 112.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 73.33 111.091 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.56 121.66 5.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.904 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.95 -42.05 85.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 55.12 112.451 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -48.57 -57.72 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 52.14 110.885 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.534 ' O ' HG21 ' A' ' 13' ' ' THR . 6.5 mpt_? -53.78 -58.66 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.11 110.877 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.48 HG23 ' HA ' ' A' ' 68' ' ' ILE . 67.3 mt -49.53 -43.94 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 64.12 111.185 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 34' ' ' THR . 8.1 mttp -55.14 -54.31 44.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 63.23 110.888 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.39 -50.26 65.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 70.41 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.556 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.4 mt -57.79 -51.21 70.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 74.14 110.929 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.41 ' HA ' HG12 ' A' ' 72' ' ' ILE . 5.0 m -57.4 -72.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 64.2 111.142 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.4 t -42.49 -43.74 3.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 75.35 111.133 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' HG23 ' A' ' 34' ' ' THR . 10.2 t80 -57.36 -57.53 12.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.905 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.481 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.72 -51.1 41.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 72.52 111.085 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.518 ' HA ' HD11 ' A' ' 40' ' ' ILE . 4.0 mm? -56.75 -50.08 73.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.934 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -57.21 -27.1 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.849 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.682 ' HB2' HD11 ' A' ' 42' ' ' ILE . 18.3 m-70 -130.09 85.29 2.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 65.41 110.851 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 40' ' ' ILE . 31.0 mm -80.47 -1.69 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 71.52 111.121 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -90.25 23.43 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 63.12 110.82 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.682 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.7 pt -148.11 30.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.21 111.144 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.696 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.8 pp20? -57.64 -37.17 72.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 64.34 110.891 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 t -57.82 -74.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 74.52 110.856 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.494 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.05 -47.41 22.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 62.3 110.886 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.782 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 86.8 mt -55.94 -70.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 74.21 111.159 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.894 HD12 HD11 ' A' ' 101' ' ' LEU . 38.0 mm -48.02 -47.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.43 111.071 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.4 m -57.27 -44.54 84.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 64.21 110.839 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD23 ' CE2' ' A' ' 10' ' ' PHE . 17.1 tp -56.99 -67.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.852 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.8 pt -46.61 -46.46 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.53 111.115 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.653 HD13 HG21 ' A' ' 104' ' ' VAL . 54.1 mt -56.95 -56.47 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 52.5 111.09 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -51.02 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.86 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.73 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.7 t80 -51.83 -38.05 54.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.907 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.1 t -63.33 -75.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 52.14 110.814 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -30.38 27.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 72.34 110.85 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.8 mt -42.48 -77.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 51.32 110.932 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.678 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -89.2 169.28 13.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 72.51 110.916 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.78 -158.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.654 2.236 . . . . 71.04 112.35 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -31.96 -50.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.24 110.913 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 59' ' ' ASP . 61.7 m -33.28 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 62.44 110.856 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.678 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 12.2 m170 -60.98 -38.61 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 72.22 110.863 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -45.29 -62.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.92 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.99 -59.18 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.92 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.72 -64.17 3.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 72.12 112.468 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -45.99 32.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.934 0.397 . . . . 52.22 110.845 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mt -47.84 -53.92 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 70.31 110.886 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -55.93 -46.44 78.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.919 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.745 HD11 ' CD2' ' A' ' 17' ' ' PHE . 22.8 mt -57.08 -52.99 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 55.23 111.099 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.579 HG12 HD12 ' A' ' 50' ' ' ILE . 54.4 mt -56.88 -37.98 56.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.1 111.133 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.05 -55.31 34.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 61.0 110.853 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -55.97 -56.97 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 54.24 110.871 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' A' ' 33' ' ' THR . 81.2 mt -55.03 -45.86 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 53.31 111.11 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.79 -56.15 24.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 61.24 112.485 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.647 ' HG2' HD21 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -51.42 -57.7 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 73.4 110.904 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -55.13 -49.53 71.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 63.11 111.088 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.536 ' O ' HG22 ' A' ' 80' ' ' THR . 2.0 m-85 -55.16 -51.89 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 65.33 110.928 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.709 HD22 ' HA ' ' A' ' 136' ' ' LEU . 9.4 tp -51.09 -56.52 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 72.35 110.927 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -42.25 71.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 37' ' ' LEU . 22.1 mm-40 -56.26 -72.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.876 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 76' ' ' TYR . 2.5 t -52.95 -45.28 67.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 73.55 111.185 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -54.95 -35.79 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.915 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.15 -29.94 24.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.859 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -75.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 75.41 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t -178.21 154.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 65.5 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -74.39 -173.46 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 75.13 110.925 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.2 m -120.69 -170.21 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 65.24 110.859 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.6 t -60.59 -25.08 65.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 64.21 110.871 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 t 63.13 27.96 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.854 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -107.92 -31.91 7.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 64.31 110.907 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -141.17 160.85 56.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 74.51 110.892 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.63 66.86 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 72.14 112.329 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.9 -37.64 0.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 61.34 112.524 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -152.81 -176.08 5.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.743 0.306 . . . . 73.42 111.171 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.458 ' SG ' HD12 ' A' ' 40' ' ' ILE . 79.6 m -47.86 -36.58 12.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.907 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.44 -72.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 74.52 111.117 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -53.24 -34.8 58.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.43 110.866 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -57.2 -57.9 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 73.41 111.105 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.459 HD13 HD12 ' A' ' 77' ' ' LEU . 55.9 mt -56.15 -54.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 63.14 111.152 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -43.25 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 62.31 110.901 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.8 m -56.73 -56.62 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.45 111.111 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.894 HD11 HD12 ' A' ' 47' ' ' ILE . 17.1 mt -55.31 -48.84 73.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 64.53 110.918 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.6 -14.56 29.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 64.53 112.451 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.628 ' HG2' HG13 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -97.94 -4.87 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 71.11 110.888 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.653 HG21 HD13 ' A' ' 51' ' ' ILE . 4.6 m -126.91 -13.88 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.137 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.828 HG13 HD12 ' A' ' 109' ' ' LEU . 1.4 tp -48.8 -31.42 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.147 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.428 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -47.75 -71.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.879 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.18 -37.93 70.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.894 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.69 -75.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 71.11 110.937 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.828 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -52.2 -61.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.892 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' LEU . 92.6 p -36.78 -62.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 75.45 110.88 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -55.35 -46.97 76.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 71.14 110.853 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.28 -58.74 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 54.51 111.073 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.6 mt -52.49 -51.54 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.111 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' HB3' ' HE2' ' A' ' 115' ' ' LYS . . . -57.38 -65.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 64.42 111.159 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -54.88 -21.31 11.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 44.31 110.903 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.454 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 6.2 m -85.31 150.34 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.83 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -97.98 -173.4 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 74.53 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.622 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 14.8 mt-30 -42.62 -52.54 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 74.11 110.881 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -68.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.842 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.46 -59.27 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.52 -38.55 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 63.22 110.886 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -61.47 -44.76 96.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 63.52 110.889 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -57.87 -49.42 76.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.908 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.438 ' CG2' HD23 ' A' ' 109' ' ' LEU . 62.2 mt -57.64 -50.4 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.1 111.136 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -52.41 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.883 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 ttm -55.85 -49.5 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.905 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.574 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 24.6 tp -51.06 -50.03 59.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 65.3 110.943 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.779 HD11 HG13 ' A' ' 145' ' ' ILE . 0.7 OUTLIER -55.28 -48.52 73.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 63.11 110.909 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -51.52 -49.42 61.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 73.21 110.857 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.9 mt -57.76 -43.04 83.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 61.1 111.144 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.574 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 45.5 m0 -53.58 -59.09 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 71.42 110.931 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -55.1 -49.87 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 75.42 110.85 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -53.5 -64.27 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.888 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.5 t -55.46 -66.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 72.34 110.836 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 129.86 77.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 61.45 112.478 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.709 ' HA ' HD22 ' A' ' 77' ' ' LEU . 2.5 mp -104.33 -76.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 61.1 110.922 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -92.14 14.74 15.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 62.25 110.894 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.79 175.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 71.52 110.886 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? 57.7 23.11 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 62.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.06 -55.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.859 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.643 ' C ' HD13 ' A' ' 142' ' ' LEU . 23.0 m-85 61.85 165.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.904 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.797 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -140.59 128.57 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 73.33 110.918 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.439 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 4.6 t30 -56.56 -21.29 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 62.42 110.898 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . -41.08 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 63.33 111.087 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.791 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.55 -24.15 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 62.21 111.14 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.439 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 5.5 ttt180 -42.53 -49.85 5.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.902 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.6 t -68.57 103.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.849 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -48.43 -26.78 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.884 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 2.6 m -46.91 -32.19 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 74.02 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.567 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 15.6 m-85 -57.83 -95.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 70.33 110.887 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 1.051 ' HA ' HD22 ' A' ' 154' ' ' LEU . . . -38.73 -39.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 75.24 111.086 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.401 ' O ' ' HG3' ' A' ' 155' ' ' GLU . 31.1 mtp -59.8 -69.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.59 -51.12 62.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 63.53 110.907 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.051 HD22 ' HA ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -46.92 -28.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 70.41 110.905 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.897 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -90.3 28.59 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 72.34 110.868 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 178.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.31 110.857 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -52.0 104.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 75.15 110.823 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -146.53 -176.69 5.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 61.53 110.87 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -55.27 144.61 24.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 63.4 110.857 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -150.42 -177.58 6.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.856 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 70.13 110.863 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.822 0.344 . . . . 75.13 110.83 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 5.0 t70 58.41 32.79 22.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 64.23 110.86 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 12.9 p30 -176.42 162.18 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 73.35 110.833 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.32 -26.5 63.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 64.01 110.909 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.03 -76.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 64.15 110.888 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . -62.2 115.36 7.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 53.43 112.499 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -96.22 102.01 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.918 0.39 . . . . 75.41 110.913 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 27.4 t30 -78.08 114.34 41.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.628 0.728 . . . . 71.1 110.915 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.22 36.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 61.13 112.358 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -9.54 58.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.883 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 11.8 p -85.1 156.44 21.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 70.3 111.163 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 55.14 110.912 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.703 0.287 . . . . 75.23 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -146.38 126.21 13.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.51 110.95 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -74.38 -26.16 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 73.45 110.897 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -65.74 -14.74 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 72.13 110.892 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -143.14 74.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 70.51 110.874 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -100.76 -163.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.899 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -46.82 -29.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 63.33 110.821 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -49.72 -58.08 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.921 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -53.53 -51.19 63.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.92 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.801 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 12.7 t80 -56.28 -68.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 74.1 110.886 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -48.49 -44.65 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 63.23 111.113 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -52.85 -50.53 63.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.15 111.064 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.553 HG21 ' O ' ' A' ' 28' ' ' ARG . 29.1 m -57.61 -52.19 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.15 111.15 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD21 ' HB3' ' A' ' 53' ' ' TYR . 10.1 tp -55.5 -55.48 31.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 72.2 110.93 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -49.41 -58.31 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.88 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 t -56.86 -28.73 62.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 72.35 110.891 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.548 ' HD1' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -56.38 -62.08 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 52.43 110.848 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -57.0 -35.15 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.915 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -55.53 -23.1 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 62.53 110.91 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.548 HD12 ' HD1' ' A' ' 17' ' ' PHE . 19.0 mt -57.35 -176.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.923 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -10.03 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.914 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.6 m -122.68 -51.41 1.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 72.52 110.816 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.584 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 107.58 21.61 7.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 41.13 112.528 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.727 HD11 ' HG ' ' A' ' 63' ' ' LEU . 32.8 mm -140.23 117.7 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 74.13 111.109 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.6 m -152.77 119.06 5.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 75.05 110.823 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.21 -50.19 60.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 34.54 112.476 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -49.72 -51.96 34.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 73.04 110.824 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' O ' HG21 ' A' ' 13' ' ' THR . 10.5 mpt_? -55.06 -64.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.917 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.431 ' HA ' HD12 ' A' ' 32' ' ' LEU . 53.2 mt -49.23 -41.76 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 74.02 111.16 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.677 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.13 -56.79 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.89 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -52.86 -48.76 66.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 75.4 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 10' ' ' PHE . 11.3 mt -56.8 -52.83 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.964 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.402 HG23 ' HA ' ' A' ' 72' ' ' ILE . 10.5 m -57.51 -72.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 63.15 111.115 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.4 t -41.22 -44.68 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 62.54 111.164 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.484 ' N ' HG23 ' A' ' 34' ' ' THR . 21.9 t80 -57.37 -55.94 28.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.897 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -51.72 -52.67 46.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 63.23 111.135 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.442 ' HA ' HD11 ' A' ' 40' ' ' ILE . 3.6 mm? -57.85 -48.24 80.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.895 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.71 -27.47 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.83 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.657 ' HB3' HD11 ' A' ' 42' ' ' ILE . 5.7 t-160 -131.8 86.08 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.84 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.533 HG22 HG22 ' A' ' 93' ' ' THR . 15.1 mm -80.37 0.65 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 62.14 111.11 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -88.17 12.24 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 70.24 110.873 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.657 HD11 ' HB3' ' A' ' 39' ' ' HIS . 2.7 pt -139.22 30.82 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.34 111.172 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.0 pm0 -57.49 -37.62 73.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.01 110.885 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 t -57.95 -73.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.898 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.42 -46.2 26.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 73.43 110.877 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.801 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 75.0 mt -56.23 -71.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.099 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.726 HD12 HD11 ' A' ' 101' ' ' LEU . 40.2 mm -47.26 -48.43 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 62.22 111.115 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -57.61 -41.54 81.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.827 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 11' ' ' VAL . 20.1 tp -58.09 -67.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.918 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 47' ' ' ILE . 5.7 pt -46.54 -46.53 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 63.22 111.136 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.408 HD12 HG22 ' A' ' 47' ' ' ILE . 84.9 mt -56.37 -59.59 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 70.45 111.118 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.58 -52.57 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.02 110.899 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.426 ' HB3' HD21 ' A' ' 14' ' ' LEU . 2.9 t80 -49.36 -37.62 25.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 75.41 110.956 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.624 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 8.0 p -63.25 -76.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 73.24 110.843 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' N ' ' OG ' ' A' ' 54' ' ' SER . 6.6 ptt85 -42.69 -35.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.849 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.94 -75.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 61.02 110.904 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.8 m -46.54 151.28 1.04 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 73.12 110.9 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -155.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 74.12 112.32 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.432 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 10.4 p-10 -38.77 -46.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.89 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -44.01 -41.63 5.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 74.42 110.874 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.591 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.2 -49.25 77.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 65.0 110.852 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.597 ' O ' HD12 ' A' ' 66' ' ' LEU . 7.3 mttp -43.5 -67.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.913 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.727 ' HG ' HD11 ' A' ' 24' ' ' ILE . 9.4 tp -61.78 -58.48 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 74.24 110.88 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -50.04 -72.28 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 45.11 112.494 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' GLY . 39.7 t -37.68 -56.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 62.52 110.863 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.686 HD13 HG12 ' A' ' 124' ' ' ILE . 0.3 OUTLIER -41.81 -54.83 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 52.35 110.943 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.606 ' CD2' HD12 ' A' ' 24' ' ' ILE . 3.8 m-30 -57.46 -46.55 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.909 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.5 mt -55.82 -54.43 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 51.31 111.107 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.3 mt -56.03 -38.09 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 65.35 111.16 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -57.11 -54.42 46.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.01 110.913 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -56.39 -64.88 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 62.14 110.898 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.402 ' HA ' HG23 ' A' ' 33' ' ' THR . 39.9 mt -51.51 -44.58 33.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 75.05 111.109 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.35 -56.39 19.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.764 . . . . 62.03 112.508 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.564 HH12 HD12 ' B' 1012 ' ' LEU . 9.0 mtm105 -53.35 -58.01 8.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 73.31 110.876 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.56 -58.77 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 63.32 111.091 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.604 ' O ' HG22 ' A' ' 80' ' ' THR . 2.3 m-85 -50.85 -46.05 59.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.905 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 tp -53.48 -53.85 45.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 64.14 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -41.56 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.861 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.91 -71.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.855 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.635 HG21 HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -54.43 -40.73 68.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.12 111.133 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -55.36 -39.32 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 73.1 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -59.72 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.854 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -92.97 -75.85 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.915 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 t -174.66 -175.06 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 70.21 110.878 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -102.13 -170.01 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 64.12 110.869 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -130.15 -176.37 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 72.34 110.842 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -179.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 53.35 110.861 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.8 p -119.76 41.34 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 63.4 110.845 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -137.15 111.11 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 73.32 110.893 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? 64.4 154.3 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 73.22 110.885 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 168.4 21.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.244 . . . . 73.53 112.345 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 93' ' ' THR . . . 179.92 -33.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 75.4 112.502 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 92' ' ' GLY . 0.7 OUTLIER -162.9 -176.06 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 72.33 111.15 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.7 p -45.23 -44.76 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 75.2 110.884 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.07 -76.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 64.42 111.083 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -51.07 -34.98 32.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 73.53 110.908 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.5 -56.14 24.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 54.4 111.111 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 80' ' ' THR . 74.8 mt -56.63 -54.84 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 60.25 111.132 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -43.6 74.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 73.32 110.878 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.4 m -56.76 -55.53 33.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 63.44 111.152 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 47' ' ' ILE . 33.6 mt -52.86 -53.09 53.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.892 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.49 -15.23 23.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 74.23 112.521 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.547 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -88.41 -13.01 41.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 71.41 110.904 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.547 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -120.02 -19.28 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 72.32 111.136 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.748 ' HA ' HD12 ' A' ' 108' ' ' LEU . 4.6 tp -52.44 -27.19 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 63.45 111.135 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.403 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -50.21 -69.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 73.12 110.927 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.09 -43.81 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.55 110.879 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 105' ' ' ILE . 33.2 mt -54.89 -68.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 62.5 110.915 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.717 HD12 HG13 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -50.94 -68.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 70.54 110.94 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 109' ' ' LEU . 50.1 p -34.52 -70.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 51.24 110.876 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.99 -48.19 52.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 64.12 110.818 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.49 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -47.53 -59.59 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 65.43 111.142 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.514 HG22 ' CD1' ' A' ' 154' ' ' LEU . 0.3 OUTLIER -58.31 -41.2 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.51 111.162 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.91 -71.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 72.43 111.073 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -42.44 74.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 50.24 110.883 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.463 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 5.8 m -49.74 143.3 7.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 52.14 110.859 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -94.88 -172.19 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.888 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.633 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 7.8 tt0 -43.46 -52.69 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.944 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.07 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 70.01 110.888 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -48.77 -60.05 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.834 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.92 -38.66 7.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.904 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -44.98 95.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 64.14 110.905 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -58.18 -51.93 67.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.686 HG12 HD13 ' A' ' 66' ' ' LEU . 51.5 mt -56.88 -51.48 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.12 111.117 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -54.3 16.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 53.15 110.91 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.37 -48.5 74.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.859 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.745 HD12 ' HG3' ' B' 1009 ' ' PRO . 7.8 tp -54.72 -43.93 73.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 65.01 110.878 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.62 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -57.06 -49.7 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 65.13 110.926 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.48 -55.01 36.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.833 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.435 HG21 ' HG2' ' B' 1009 ' ' PRO . 55.9 mt -56.81 -38.7 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 75.24 111.137 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.612 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 12.5 m0 -54.81 -61.42 2.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.928 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -55.8 -47.04 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.87 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -55.14 -59.22 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.855 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.3 t -51.52 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.843 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 160.74 34.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 71.34 112.464 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.478 HD22 ' CG ' ' A' ' 131' ' ' TRP . 1.0 OUTLIER -81.67 -161.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 70.15 110.917 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.465 ' CD2' HD23 ' A' ' 136' ' ' LEU . 29.4 m-85 -43.49 155.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.868 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -70.43 78.81 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 73.14 110.882 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.578 ' HE2' HD22 ' A' ' 142' ' ' LEU . 10.6 mmtt -63.87 -33.7 76.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.89 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.0 t -67.17 -12.7 60.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 70.23 110.869 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -123.93 -2.69 8.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 74.13 110.925 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.603 HD21 ' CG2' ' A' ' 105' ' ' ILE . 5.4 tp -80.41 96.56 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 74.24 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 144' ' ' ALA . 1.9 t30 -42.88 -33.29 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 65.41 110.897 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -39.55 -94.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 54.23 111.076 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.62 ' CB ' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -68.15 -22.77 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.176 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.417 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 3.4 ttt180 -41.99 -51.59 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 64.15 110.907 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.0 t -61.98 94.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 62.34 110.897 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -46.72 -28.54 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 61.45 110.887 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 16.5 m -47.52 -33.28 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 51.04 110.847 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -56.4 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.88 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.517 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -45.06 -49.73 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 74.11 111.111 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.421 ' CG ' ' N ' ' A' ' 153' ' ' ASP . 0.2 OUTLIER -52.58 -45.69 66.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.847 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.421 ' N ' ' CG ' ' A' ' 152' ' ' MET . 14.6 t70 -66.62 -68.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 64.14 110.89 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.517 HD11 ' HA ' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -50.56 -29.93 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.948 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.6 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.916 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 57.66 46.82 16.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 73.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.31 177.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 64.21 110.85 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -81.19 60.7 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.858 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -162.64 124.23 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.865 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 67.7 t60 62.39 63.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 74.3 110.89 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.854 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.818 0.342 . . . . 64.24 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.27 -66.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.03 176.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.818 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.77 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 55.55 110.937 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 59.7 m-20 53.29 -171.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.871 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 54.38 77.29 0.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 73.34 112.496 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 19.1 t80 -117.45 142.13 47.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.389 . . . . 63.55 110.897 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 13.1 p30 -142.57 153.46 61.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 71.32 110.898 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1009 ' ' PRO . . . . . 0.745 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.7 Cg_endo -69.74 -24.27 29.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 64.13 112.376 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -15.62 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.941 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -169.75 126.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 74.25 111.166 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.564 HD12 HH12 ' A' ' 74' ' ' ARG . 3.3 tt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 64.43 110.949 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 ptp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.703 0.287 . . . . 62.52 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -150.64 127.42 10.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 74.1 110.945 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -110.89 -24.34 10.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.25 110.885 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -57.79 -23.18 51.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 65.14 110.859 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -129.45 56.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.867 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.5 -164.36 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 74.43 110.854 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' A' ' 11' ' ' VAL . 4.8 t80 -49.26 -26.0 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.89 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.93 -57.71 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.932 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -52.34 -50.73 61.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.789 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 45.0 t80 -56.45 -70.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 63.13 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.471 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -46.57 -45.66 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 62.11 111.155 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.12 -47.15 72.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 74.24 111.117 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.5 HG21 ' O ' ' A' ' 28' ' ' ARG . 15.5 m -58.42 -53.26 60.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 73.53 111.158 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.566 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.0 tp -56.38 -53.98 51.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 72.2 110.897 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.81 -55.86 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.893 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 t -59.63 -31.48 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 73.01 110.848 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.804 ' O ' HD22 ' A' ' 20' ' ' LEU . 14.0 t80 -51.42 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 70.25 110.892 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -61.22 -37.07 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 75.15 110.914 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.97 -14.97 10.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 64.51 110.857 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.804 HD22 ' O ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -65.54 176.26 1.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.924 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 -13.22 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.52 110.879 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 p -85.59 -8.91 58.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.847 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.7 ' C ' HD11 ' A' ' 20' ' ' LEU . . . 92.33 -40.6 2.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 73.13 112.519 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.679 ' N ' HD11 ' A' ' 20' ' ' LEU . 3.9 mt -141.15 141.7 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 74.02 111.128 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 t -126.43 113.27 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.887 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.73 -56.53 23.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 70.41 112.484 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -44.38 -47.83 9.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 71.03 110.857 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' HG21 ' A' ' 13' ' ' THR . 10.3 mpt_? -54.83 -56.05 23.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.875 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.437 ' HA ' HD12 ' A' ' 32' ' ' LEU . 55.8 mt -49.44 -44.49 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 70.24 111.144 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.608 ' O ' HG22 ' A' ' 34' ' ' THR . 29.8 mttt -56.04 -57.11 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 74.33 110.911 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -50.61 -49.2 57.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.92 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 29' ' ' ILE . 4.0 mt -57.81 -51.4 69.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 60.42 110.943 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.403 ' HA ' HG12 ' A' ' 72' ' ' ILE . 4.0 m -56.69 -70.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.089 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.7 t -44.39 -44.65 8.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 64.43 111.115 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.467 ' N ' HG23 ' A' ' 34' ' ' THR . 20.3 t80 -58.02 -56.85 16.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.902 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.687 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.78 -57.8 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 63.53 111.094 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.671 HD11 ' CB ' ' A' ' 75' ' ' ALA . 1.3 mp -56.75 -48.72 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.15 110.92 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.4 -26.81 54.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.859 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.621 ' CB ' HD11 ' A' ' 42' ' ' ILE . 45.7 m-70 -129.66 83.76 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.862 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.53 HG22 HG22 ' A' ' 93' ' ' THR . 19.1 mm -78.4 -0.6 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.143 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -90.92 20.68 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 61.42 110.892 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.621 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.4 pt -149.45 27.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 55.12 111.11 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.3 OUTLIER -58.2 -33.96 69.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.894 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 16.2 t -59.01 -72.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.887 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.517 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -48.54 -45.99 38.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 72.03 110.902 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.789 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 50.7 mt -56.95 -69.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 71.41 111.134 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.799 HD12 HD11 ' A' ' 101' ' ' LEU . 34.9 mm -48.75 -47.4 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.114 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -57.82 -43.54 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.905 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.527 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.4 tp -57.59 -67.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.077 -0.51 . . . . 62.15 110.902 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.595 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.0 pt -44.79 -46.07 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 74.1 111.063 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.631 HD13 HG21 ' A' ' 104' ' ' VAL . 64.5 mt -56.34 -54.84 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 64.4 111.124 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -42.86 83.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.41 110.868 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.778 ' HA ' HD12 ' A' ' 56' ' ' LEU . 3.3 t80 -56.61 -38.43 72.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.896 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.683 ' OG ' HD22 ' A' ' 108' ' ' LEU . 27.0 p -63.66 -68.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 45.44 110.87 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.01 -26.96 63.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 75.32 110.891 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 53' ' ' TYR . 4.4 mt -42.38 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 64.44 110.901 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.692 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -94.86 169.93 8.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 71.31 110.91 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.497 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.4 Cg_endo -69.81 -158.08 0.05 OUTLIER 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.65 2.233 . . . . 64.44 112.383 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -29.53 -54.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 74.11 110.883 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' ASP . 10.7 p -34.09 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 64.04 110.904 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.692 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 4.6 m170 -60.65 -38.95 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 61.13 110.861 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -45.83 -61.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 71.33 110.859 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.423 ' HG ' HD11 ' A' ' 24' ' ' ILE . 23.1 tp -57.5 -56.98 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.902 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.22 -60.78 5.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.682 -0.771 . . . . 45.3 112.506 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.1 -47.96 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 52.33 110.843 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.668 HD22 ' CD2' ' A' ' 127' ' ' LEU . 1.3 mt -49.12 -50.44 37.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 52.44 110.937 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -56.27 -49.59 73.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.935 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.566 HD13 ' CD1' ' A' ' 14' ' ' LEU . 45.2 mt -56.88 -56.29 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 73.53 111.121 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.554 HG12 HD12 ' A' ' 50' ' ' ILE . 13.7 mt -56.51 -35.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 62.41 111.115 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.438 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -56.82 -55.66 31.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.867 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -55.88 28.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 55.04 110.852 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 33' ' ' THR . 74.9 mt -55.37 -45.89 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 70.22 111.134 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.13 -57.95 16.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.734 . . . . 63.42 112.481 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.649 ' HG2' HD22 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -50.31 -55.98 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 71.41 110.878 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.671 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -55.88 -53.21 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 64.01 111.072 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.687 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.3 m-30 -53.03 -47.11 68.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 71.54 110.875 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.487 ' HA ' HD11 ' A' ' 98' ' ' ILE . 2.6 tp -54.82 -53.78 50.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 73.13 110.924 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.2 -39.63 69.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 60.2 110.908 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.88 -66.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 63.43 110.846 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.4 t -55.71 -51.35 67.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 62.21 111.143 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' H ' HG23 ' A' ' 80' ' ' THR . 4.5 ptm180 -55.61 -29.75 59.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.906 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.11 -32.67 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.4 110.808 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -128.47 -63.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 64.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -168.86 159.15 9.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 52.35 110.885 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -122.17 -170.41 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.52 110.878 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.436 ' H ' ' HB1' ' A' ' 95' ' ' ALA . 3.0 t -129.42 -179.52 5.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 65.41 110.9 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -93.13 -175.3 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 71.23 110.878 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.1 125.57 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 44.14 110.807 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -179.45 -174.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.493 . . . . 72.55 110.891 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -51.71 159.36 1.32 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 73.21 110.871 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.7 Cg_endo -69.77 164.15 35.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 41.34 112.342 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.44 -39.52 0.1 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 74.21 112.52 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.53 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -158.79 -177.38 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 71.23 111.113 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -41.17 -54.54 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 64.41 110.916 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.436 ' HB1' ' H ' ' A' ' 86' ' ' SER . . . -48.3 -66.3 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 50.33 111.118 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 38.5 m170 -51.67 -36.46 46.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 94' ' ' CYS . . . -55.48 -61.42 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 44.23 111.089 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' A' ' 77' ' ' LEU . 68.3 mt -52.34 -42.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 63.43 111.126 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -56.03 -53.56 55.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 54.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 m -55.48 -55.2 34.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.51 111.13 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.799 HD11 HD12 ' A' ' 47' ' ' ILE . 44.0 mt -51.26 -56.13 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 74.04 110.895 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.09 -14.85 26.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 34.05 112.482 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.569 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -94.15 -8.56 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 75.11 110.866 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.631 HG21 HD13 ' A' ' 51' ' ' ILE . 3.9 m -123.89 -14.64 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.24 111.119 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.845 HG13 HD12 ' A' ' 109' ' ' LEU . 2.4 tp -49.63 -30.26 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 72.23 111.134 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.57 -71.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.897 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -56.41 -39.9 73.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 64.12 110.873 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.683 HD22 ' OG ' ' A' ' 54' ' ' SER . 29.1 mt -56.78 -74.39 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.896 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.845 HD12 HG13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -51.21 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.952 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.4 p -35.56 -58.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 54.34 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -56.19 -51.97 66.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 62.21 110.86 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.65 -58.9 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 42.42 111.072 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.679 HG22 ' CD1' ' A' ' 154' ' ' LEU . 3.1 mt -53.0 -51.95 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 64.4 111.142 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.45 -68.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 63.4 111.116 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -47.97 -50.82 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.845 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 4.3 m -50.54 153.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 54.34 110.877 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -94.92 -169.91 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 62.32 110.916 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.642 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.6 tt0 -49.13 -51.66 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -62.94 -64.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 73.43 110.866 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 116' ' ' SER . 0.5 OUTLIER -49.38 -59.64 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.857 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.642 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.2 OUTLIER -45.81 -38.57 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 72.33 110.895 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -45.77 92.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 51.35 110.898 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -58.12 -48.75 79.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 62.42 110.861 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.638 HG21 HG12 ' A' ' 113' ' ' ILE . 64.5 mt -56.75 -48.58 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 70.43 111.153 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -52.78 40.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.84 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -47.99 76.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.05 110.866 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.668 ' CD2' HD22 ' A' ' 66' ' ' LEU . 21.0 tp -54.61 -45.6 73.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.558 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -55.93 -48.95 74.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 70.55 110.948 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.6 -48.89 71.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.852 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.3 mt -57.81 -41.34 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.32 111.12 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.807 ' CD1' HD23 ' A' ' 136' ' ' LEU . 33.2 m0 -54.88 -58.26 8.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.963 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -55.47 -52.7 62.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.829 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -54.84 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.879 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.1 t -50.8 -53.13 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 71.35 110.9 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 137.93 -5.5 3.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 72.13 112.467 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.807 HD23 ' CD1' ' A' ' 131' ' ' TRP . 14.1 tp -58.03 128.48 37.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 53.21 110.9 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 57.66 26.51 13.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 64.52 110.909 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -92.0 16.96 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 63.33 110.918 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -96.32 -5.04 40.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 53.35 110.859 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.96 105.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 61.42 110.871 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.684 ' C ' HD13 ' A' ' 142' ' ' LEU . 71.6 m-85 -51.76 171.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 64.14 110.932 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -143.32 128.19 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 61.31 110.903 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.439 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 24.0 m-80 -57.0 -20.0 21.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 60.14 110.879 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -42.82 -95.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 74.2 111.079 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.813 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.96 -23.38 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 71.31 111.103 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.439 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 2.3 ttt85 -45.76 -51.09 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 71.2 110.831 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 33.2 t -67.34 108.19 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 55.03 110.85 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -50.19 -24.89 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 65.1 110.908 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 42.2 t -48.69 -31.31 6.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -54.9 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.867 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.52 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -47.83 -46.78 31.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 71.2 111.093 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.408 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 28.5 mmm -50.95 -51.38 52.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.3 110.917 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -63.14 -67.46 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 64.44 110.856 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.679 ' CD1' HG22 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -49.86 -28.96 7.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.937 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.5 OUTLIER -57.12 -173.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 74.2 110.903 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 156' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 155' ' ' GLU . 20.5 p80 37.98 49.48 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 71.2 110.884 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.66 17.35 24.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.883 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.27 -170.61 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.883 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.06 -55.56 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 75.23 110.858 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -73.15 120.08 18.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 61.41 110.888 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 73.23 110.895 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.329 . . . . 75.02 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -132.59 -74.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 74.54 110.866 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.64 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 53.43 110.873 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -176.31 36.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 63.54 110.89 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.75 175.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 70.35 110.862 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 112.72 95.24 2.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 63.12 112.506 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1007 ' ' TYR . . . . . 0.435 ' CE1' HG21 ' B' 1011 ' ' THR . 32.0 t80 -151.61 114.57 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 72.22 110.914 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 5.6 p30 -96.22 154.64 38.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 74.44 110.859 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1009 ' ' PRO . . . . . 0.483 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.4 Cg_endo -69.85 -15.37 36.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 72.35 112.326 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 11.5 p90 -106.71 32.14 4.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.935 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1011 ' ' THR . . . . . 0.435 HG21 ' CE1' ' B' 1007 ' ' TYR . 1.8 t -69.36 -25.37 64.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 73.2 111.175 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 52.23 110.885 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tpt . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.787 0.327 . . . . 42.44 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -124.4 57.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.945 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 56.96 24.05 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 73.24 110.956 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -100.13 118.06 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 63.31 110.862 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.3 t70 65.06 55.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 65.34 110.831 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.2 -164.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.887 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -47.77 -27.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 74.5 110.9 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -50.01 -56.53 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 75.12 110.932 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.32 -52.51 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.32 110.861 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 33.1 t80 -55.53 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.6 -45.01 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 51.52 111.116 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.425 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.08 -49.46 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 53.22 111.088 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.49 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.8 m -57.4 -53.71 55.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 72.53 111.14 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 14' ' ' LEU . 11.6 tp -56.48 -52.62 64.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 70.02 110.919 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.17 -57.15 7.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.859 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -55.5 -32.03 62.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 63.34 110.892 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.553 ' CE1' HD13 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -58.4 -61.58 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.876 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -55.41 -35.47 65.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 62.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -57.11 -23.1 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 74.44 110.889 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.3 mt -72.59 158.88 34.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.945 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.18 58.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 54.24 110.916 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.48 37.81 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.824 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.09 -45.51 6.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 74.11 112.512 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.553 HD13 ' CE1' ' A' ' 17' ' ' PHE . 10.3 mm 61.03 82.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 50.14 111.164 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.66 124.44 37.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.833 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.61 -37.79 69.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.772 -0.728 . . . . 71.42 112.459 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 t -51.17 -43.89 61.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 72.55 110.851 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' O ' HG21 ' A' ' 13' ' ' THR . 8.5 mpt_? -54.63 -63.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 72.42 110.9 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 32' ' ' LEU . 79.0 mt -50.32 -40.89 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.02 111.163 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.668 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.52 -59.41 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.912 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -51.83 -47.06 64.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.903 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 29' ' ' ILE . 6.6 mt -57.61 -53.79 54.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 71.41 110.903 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.404 HG23 ' HA ' ' A' ' 72' ' ' ILE . 7.6 m -57.6 -71.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 72.44 111.122 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.1 t -40.82 -44.97 2.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 61.31 111.163 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.485 ' N ' HG23 ' A' ' 34' ' ' THR . 24.3 t80 -59.39 -57.42 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.862 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.668 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.15 -57.33 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 54.34 111.079 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.868 HD21 ' HB1' ' A' ' 75' ' ' ALA . 2.3 mp -56.6 -47.43 79.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 73.51 110.97 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.44 -25.18 49.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 52.32 110.851 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.669 ' HB3' HD11 ' A' ' 42' ' ' ILE . 2.5 t-160 -131.42 85.31 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 54.44 110.85 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 40' ' ' ILE . 25.4 mm -80.06 2.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 61.14 111.13 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.83 19.65 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 73.44 110.868 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.669 HD11 ' HB3' ' A' ' 39' ' ' HIS . 2.7 pt -149.85 35.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.44 111.143 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.716 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.7 pp20? -59.36 -38.0 79.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 71.42 110.851 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 t -57.52 -74.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 63.31 110.854 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.573 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -44.17 -48.65 9.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 65.24 110.923 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.8 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 90.0 mt -56.4 -73.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.24 111.138 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.727 HD12 HD11 ' A' ' 101' ' ' LEU . 42.2 mm -44.78 -49.34 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.03 111.147 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 m -56.99 -43.39 81.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 61.43 110.828 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.536 HD23 ' CE2' ' A' ' 10' ' ' PHE . 17.8 tp -57.26 -67.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.562 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.0 pt -46.44 -45.75 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 74.44 111.134 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.445 HD12 HG22 ' A' ' 47' ' ' ILE . 70.9 mt -55.23 -59.3 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 63.4 111.168 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -51.09 70.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 63.43 110.85 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -48.55 -38.85 21.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.919 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.565 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 11.2 p -62.38 -74.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 74.52 110.875 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.6 ptt85 -44.48 -34.21 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 71.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 53' ' ' TYR . 34.3 mt -62.87 -78.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.916 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.456 ' HB2' ' HB3' ' A' ' 61' ' ' HIS . 60.1 m -47.78 149.35 2.28 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.643 0.735 . . . . 61.11 110.882 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.9 Cg_endo -69.77 -152.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 74.13 112.307 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -37.77 -45.39 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.925 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -43.86 -41.95 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 70.31 110.82 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.535 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -58.11 -47.03 84.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.833 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.636 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.7 mtmp? -41.72 -68.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 65.41 110.894 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.537 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 9.0 tp -60.32 -60.66 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.952 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.18 -73.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.676 -0.773 . . . . 55.22 112.489 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.542 ' O ' HD12 ' A' ' 69' ' ' ILE . 46.7 t -36.89 -59.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 74.11 110.902 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.679 ' CD2' HD23 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -41.42 -54.32 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 54.32 110.894 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 11.0 m-85 -57.39 -46.83 83.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.948 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.5 mt -55.6 -55.69 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 72.51 111.116 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 65' ' ' SER . 2.9 mt -55.96 -37.38 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.34 111.16 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.63 ' HA ' HD21 ' A' ' 136' ' ' LEU . 2.6 t70 -58.23 -56.11 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 74.33 110.888 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.633 ' HB2' HD21 ' B' 1012 ' ' LEU . 64.2 p -55.82 -64.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.875 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.404 ' HA ' HG23 ' A' ' 33' ' ' THR . 62.1 mt -51.99 -45.83 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 74.01 111.14 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.63 -62.19 6.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.747 -0.74 . . . . 72.21 112.479 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.539 ' HG2' HD22 ' A' ' 136' ' ' LEU . 1.7 mtm105 -49.11 -55.1 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 70.21 110.816 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.868 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -54.91 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.52 111.089 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.685 ' O ' HG22 ' A' ' 80' ' ' THR . 2.4 m-30 -47.18 -50.07 21.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.922 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.789 HD22 HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -51.49 -63.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.938 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -40.49 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.887 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.63 ' HG3' HD23 ' A' ' 37' ' ' LEU . 9.6 mm-40 -55.2 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 72.4 110.882 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.6 t -55.16 -36.18 65.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 70.55 111.136 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -55.44 -41.57 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 63.12 110.855 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -51.29 -29.69 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.866 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -108.13 -76.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.911 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t 179.92 139.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 63.25 110.863 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -108.33 -169.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.33 110.933 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.8 t -173.11 147.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 71.43 110.849 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.5 p -109.65 164.15 12.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 64.52 110.815 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.0 t 51.51 67.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 61.1 110.854 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -141.47 -166.43 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 71.03 110.928 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -106.16 160.2 27.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.545 0.688 . . . . 73.24 110.918 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 137.9 36.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 74.44 112.388 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.32 -29.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 52.43 112.467 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.521 ' HA ' HG22 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -147.69 -178.46 6.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 55.22 111.189 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 68.0 m -48.41 -43.97 34.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 70.53 110.925 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' CYS . . . -37.54 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 52.4 111.08 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -52.14 -38.8 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.858 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -53.1 -57.38 10.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 52.5 111.134 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.789 HD13 HD22 ' A' ' 77' ' ' LEU . 63.8 mt -56.34 -48.75 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 64.51 111.147 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -56.36 -56.64 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.872 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.407 ' O ' HG13 ' A' ' 104' ' ' VAL . 54.1 m -51.15 -55.01 19.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 70.1 111.153 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.727 HD11 HD12 ' A' ' 47' ' ' ILE . 37.5 mt -50.03 -57.95 6.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 71.11 110.927 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.28 -14.13 32.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 44.24 112.522 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.521 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -90.68 -13.85 33.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 55.31 110.901 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.521 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.1 m -118.44 -20.8 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 65.42 111.112 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.817 HG13 HD12 ' A' ' 109' ' ' LEU . 2.2 tp -50.87 -29.39 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 35.05 111.138 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.459 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.56 -69.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.04 110.934 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -56.16 -39.51 72.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 105' ' ' ILE . 84.2 mt -55.06 -69.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 64.42 110.906 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.817 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -55.39 -63.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 61.33 110.871 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 109' ' ' LEU . 78.0 p -36.64 -67.07 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.87 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.19 -45.08 61.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 75.35 110.841 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.504 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.55 -59.73 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 60.41 111.084 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.428 HG22 HD11 ' A' ' 154' ' ' LEU . 2.7 mt -50.9 -48.28 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 52.13 111.128 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.08 -69.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 73.35 111.124 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -30.32 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.913 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -68.6 147.58 51.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.861 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -94.47 -167.6 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 43.25 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.623 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.5 tt0 -50.5 -51.63 45.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 55.22 110.919 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.82 -62.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -50.67 -59.95 3.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 72.11 110.856 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.623 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -46.53 -37.86 8.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 72.15 110.843 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -46.51 89.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.874 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -58.14 -51.49 69.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 61.12 110.897 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.62 HG12 HD13 ' A' ' 66' ' ' LEU . 48.9 mt -56.24 -49.95 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.42 111.141 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -52.32 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.887 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.18 -51.47 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 65.25 110.86 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.679 HD23 ' CD2' ' A' ' 66' ' ' LEU . 50.9 tp -52.66 -44.34 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 60.52 110.92 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.755 HD11 HG13 ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.53 -50.63 71.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.902 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.58 -50.38 60.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 70.03 110.867 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.4 mt -57.0 -42.87 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 62.03 111.197 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.582 ' CD1' HD23 ' A' ' 136' ' ' LEU . 41.8 m0 -54.03 -53.11 57.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.956 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.18 -54.44 45.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 71.31 110.914 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -55.72 -74.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 70.34 110.833 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.7 t -57.89 -74.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.872 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 147.27 122.93 1.38 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 43.44 112.518 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -124.86 -67.78 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 54.35 110.903 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' A' ' 136' ' ' LEU . 62.3 m-85 -113.59 -77.42 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.855 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -89.31 -174.31 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 72.44 110.861 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -15.56 57.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.41 110.923 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 73.2 m -154.11 -45.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 62.33 110.857 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.617 ' C ' HD13 ' A' ' 142' ' ' LEU . 0.2 OUTLIER 178.11 -171.97 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.931 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.847 HD22 ' H ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -117.42 159.1 23.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 72.03 110.933 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.426 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 34.1 m-80 -45.49 -31.26 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 52.33 110.874 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.727 ' HB3' HD23 ' A' ' 142' ' ' LEU . . . -38.56 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 74.34 111.122 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.755 HG13 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.9 -24.79 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 75.31 111.107 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.426 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 0.6 OUTLIER -40.63 -51.38 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.896 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.2 p -58.23 99.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 65.11 110.874 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -45.13 -32.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 71.42 110.889 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 49.8 t -44.73 -31.52 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 70.33 110.899 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 3.5 m-30 -58.45 -95.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 65.23 110.922 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.976 ' HA ' HD22 ' A' ' 154' ' ' LEU . . . -38.52 -41.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 41.21 111.11 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.476 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 34.9 mmm -60.03 -71.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 65.22 110.894 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.93 -58.43 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.842 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.976 HD22 ' HA ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -41.11 -33.85 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 63.52 110.903 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.975 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -59.57 -62.34 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.892 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -60.96 160.93 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 73.1 110.834 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -156.43 -177.7 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 64.03 110.855 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -177.66 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 63.2 110.843 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -163.22 -179.72 6.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 74.01 110.846 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.1 m80 55.99 30.23 15.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.865 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 2.2 p80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 72.45 110.869 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 73.31 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.53 78.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 52.12 110.858 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 26.6 t0 -140.01 47.3 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 41.42 110.85 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 14.1 tt0 59.99 31.83 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.915 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -63.41 177.31 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 71.35 110.866 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 54.63 68.29 1.75 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 75.34 112.484 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1007 ' ' TYR . . . . . 0.423 ' CB ' HD12 ' A' ' 29' ' ' ILE . 7.0 t80 -59.47 118.56 6.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.896 0.379 . . . . 60.25 110.967 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1008 ' ' ASN . . . . . 0.508 ' OD1' HG23 ' B' 1011 ' ' THR . 2.2 t-20 -62.26 138.41 96.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 54.33 110.877 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1009 ' ' PRO . . . . . 0.485 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.9 Cg_endo -69.78 -23.18 31.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.254 . . . . 71.13 112.354 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1010 ' ' TYR . . . . . 0.483 ' O ' HG22 ' B' 1011 ' ' THR . 26.4 p90 -119.24 25.92 9.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 63.21 110.924 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1011 ' ' THR . . . . . 0.508 HG23 ' OD1' ' B' 1008 ' ' ASN . 0.1 OUTLIER -158.64 150.63 21.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 74.11 111.155 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 71' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 62.43 110.954 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.724 0.297 . . . . 45.32 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -175.95 128.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 72.23 110.922 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.91 60.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 70.13 110.928 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.82 -24.55 8.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 65.44 110.872 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -139.75 67.26 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 75.33 110.854 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.88 -163.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 64.51 110.894 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -48.19 -27.32 2.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -50.2 -56.81 9.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 72.13 110.916 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -53.55 -52.14 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 73.03 110.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.802 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 37.9 t80 -56.18 -68.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.903 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.43 -45.76 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.146 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.436 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -52.66 -51.17 61.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.03 111.095 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 28' ' ' ARG . 28.7 m -57.37 -52.99 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 61.31 111.169 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 15.8 tp -55.36 -54.68 40.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 71.13 110.916 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.78 -56.58 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.903 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 t -56.15 -30.91 62.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 63.25 110.82 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.426 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -56.1 -64.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 63.24 110.899 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -56.5 -37.16 70.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.943 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -55.75 -26.65 46.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.875 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 17' ' ' PHE . 17.8 mt -55.43 176.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.923 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.29 -25.22 24.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.04 110.896 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -114.91 -53.69 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 65.24 110.879 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.71 35.05 1.77 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 61.03 112.501 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.477 HD11 HD23 ' A' ' 63' ' ' LEU . 4.1 mp -144.6 140.69 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 72.35 111.111 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.12 115.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.51 110.855 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.88 -50.18 51.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 73.12 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -49.29 -52.57 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 74.3 110.817 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.533 ' O ' HG21 ' A' ' 13' ' ' THR . 3.4 mpt_? -55.37 -64.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.922 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 32' ' ' LEU . 96.9 mt -47.91 -42.58 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.41 111.152 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.66 ' O ' HG22 ' A' ' 34' ' ' THR . 23.8 mtmt -55.38 -56.79 16.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 72.41 110.927 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -51.73 -47.72 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.35 110.926 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD23 ' CD1' ' A' ' 10' ' ' PHE . 8.3 mt -57.77 -52.45 65.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 61.53 110.907 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' ' 72' ' ' ILE . 7.3 m -57.32 -71.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 50.42 111.131 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.4 t -41.8 -44.91 3.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.168 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.465 ' N ' HG23 ' A' ' 34' ' ' THR . 21.4 t80 -58.25 -55.8 30.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.915 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.694 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.61 -57.38 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 74.24 111.12 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.691 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.5 mp -57.38 -46.7 83.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 61.01 110.923 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.38 -28.07 40.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 75.45 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.685 ' CB ' HD11 ' A' ' 42' ' ' ILE . 27.9 m-70 -130.6 85.05 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.877 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 40' ' ' ILE . 45.9 mm -76.37 -1.43 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.41 111.158 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -92.72 26.23 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.872 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.687 HG22 ' CE ' ' A' ' 45' ' ' LYS . 1.8 pt -155.15 32.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.53 111.126 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -62.84 -42.06 99.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.906 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.4 t -51.67 -69.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 44.4 110.881 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.687 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.82 -49.03 50.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.845 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.802 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 82.9 mt -55.16 -69.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 70.4 111.155 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.754 HD12 HD11 ' A' ' 101' ' ' LEU . 42.3 mm -45.84 -49.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 64.03 111.134 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -56.48 -41.92 77.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 54.51 110.854 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.521 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.2 tp -58.16 -66.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 61.21 110.942 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.8 pt -47.64 -44.25 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 73.44 111.109 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.5 mt -55.47 -62.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 52.0 111.138 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.02 -48.61 75.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.849 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.458 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -51.43 -38.81 55.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.918 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.584 ' OG ' HD22 ' A' ' 108' ' ' LEU . 12.9 p -62.7 -72.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 54.2 110.823 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.553 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -43.35 -34.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 63.44 110.891 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 53' ' ' TYR . 27.3 mt -57.68 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.924 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.566 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -51.3 141.09 22.6 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.624 0.726 . . . . 64.13 110.892 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -98.82 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.672 2.248 . . . . 74.24 112.355 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.6 OUTLIER -68.63 -53.39 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.903 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER -38.14 -50.08 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.863 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.48 -52.04 67.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.842 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.643 ' O ' HD12 ' A' ' 66' ' ' LEU . 7.1 mtmp? -36.05 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.925 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 24' ' ' ILE . 8.3 tp -62.68 -55.83 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.53 110.897 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -49.48 -78.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.721 . . . . 50.31 112.459 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' GLY . 32.0 t -36.75 -56.85 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 74.54 110.905 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 62' ' ' LYS . 5.5 mt -41.5 -56.38 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 73.02 110.917 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.402 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 7.2 m-85 -57.05 -45.65 83.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.914 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.6 mt -55.76 -56.13 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 54.31 111.109 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.6 mt -55.87 -36.99 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 63.22 111.139 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.432 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -58.3 -56.7 18.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.888 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -55.35 -63.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 72.33 110.877 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.408 ' HA ' HG23 ' A' ' 33' ' ' THR . 61.8 mt -52.5 -44.19 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 64.1 111.128 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.71 -61.41 7.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 42.24 112.501 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -53.69 21.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 70.52 110.865 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.691 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -56.22 -59.6 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.12 111.08 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.694 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.6 m-30 -49.16 -49.26 43.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 73.45 110.946 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.691 HD22 ' HA ' ' A' ' 136' ' ' LEU . 26.7 tp -52.07 -60.92 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 70.21 110.925 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -41.2 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.851 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.59 ' HG3' HD23 ' A' ' 37' ' ' LEU . 9.8 mm-40 -55.28 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.867 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 76' ' ' TYR . 4.9 t -54.97 -42.7 72.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 65.33 111.156 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -55.49 -35.39 65.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.04 110.867 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.6 t -50.99 -38.05 48.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.895 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -114.37 -75.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -170.11 163.81 9.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.12 110.871 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -119.13 93.93 4.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.896 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.22 120.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 70.33 110.873 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -134.51 -74.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.01 110.866 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -175.45 -170.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 60.04 110.852 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -67.83 158.11 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 65.31 110.894 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp 63.29 160.5 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 75.13 110.865 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.1 Cg_endo -69.73 148.6 65.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 62.22 112.374 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.39 -33.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 71.11 112.484 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.475 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -137.21 162.86 32.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 54.55 111.119 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' THR . 3.4 m -34.39 -57.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 61.04 110.842 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' CYS . . . -34.86 -72.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.15 111.14 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 3.3 t-80 -54.89 -42.05 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.871 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 43' ' ' GLU . . . -49.98 -58.03 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 63.32 111.124 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 71.9 mt -55.33 -47.44 77.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 72.34 111.131 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -55.8 -54.69 41.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.867 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.7 m -52.36 -55.87 18.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 73.3 111.165 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.754 HD11 HD12 ' A' ' 47' ' ' ILE . 41.2 mt -50.14 -58.41 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.911 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.59 -15.11 24.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 42.41 112.518 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -87.77 -12.28 45.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 74.53 110.922 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.574 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -122.31 -18.87 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 62.32 111.166 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.825 HG13 HD12 ' A' ' 109' ' ' LEU . 3.5 tp -49.19 -30.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 75.03 111.129 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.483 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -48.96 -69.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.45 110.868 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.38 -39.55 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.872 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.584 HD22 ' OG ' ' A' ' 54' ' ' SER . 50.0 mt -55.88 -71.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.917 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.825 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -53.9 -65.86 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 61.43 110.899 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 109' ' ' LEU . 88.1 p -34.81 -58.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 63.04 110.855 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -54.72 -55.18 32.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 73.51 110.904 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.487 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -48.12 -56.37 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.23 111.117 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.695 HG22 ' CD1' ' A' ' 154' ' ' LEU . 2.1 mt -55.46 -42.72 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.23 111.08 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.34 -69.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.13 111.106 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -55.23 -46.92 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 m -46.04 146.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 75.01 110.86 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -98.76 -171.86 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 65.11 110.943 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.611 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 6.9 mp0 -44.19 -51.97 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 62.33 110.941 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.66 -65.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 72.51 110.887 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -49.21 -60.46 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.835 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.63 -38.0 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.24 110.884 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -47.1 87.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 71.01 110.88 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -57.44 -50.28 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 63.15 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.554 HG12 HD13 ' A' ' 66' ' ' LEU . 17.0 mt -56.83 -49.26 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.138 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -50.52 -50.8 52.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.858 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.2 ttm -56.18 -51.5 67.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 60.15 110.903 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.492 HD13 ' HG3' ' B' 1009 ' ' PRO . 18.8 tp -53.67 -44.13 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 52.02 110.937 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.741 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.39 -49.58 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 63.34 110.91 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.31 -49.91 66.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.861 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.83 -42.47 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 71.14 111.149 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.608 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 17.1 m0 -55.25 -56.46 19.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.949 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -55.03 -53.21 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.886 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -54.27 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 61.44 110.897 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.7 t -55.82 -74.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 71.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 141.19 124.73 2.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 64.41 112.5 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.691 ' HA ' HD22 ' A' ' 77' ' ' LEU . 10.3 tp -139.28 -76.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 72.31 110.914 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -96.45 -31.63 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.861 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -179.26 165.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.933 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -71.85 78.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.856 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 50.83 54.6 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 64.53 110.896 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -126.73 11.28 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 63.14 110.947 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.781 HD13 HD11 ' A' ' 145' ' ' ILE . 1.5 mt -67.7 85.85 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 74.12 110.958 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -38.84 -40.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 63.44 110.88 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -42.96 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 61.44 111.094 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.781 HD11 HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -63.45 -27.7 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.35 111.137 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.16 -54.66 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.883 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.2 t -53.58 102.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.85 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -48.3 -27.21 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 74.4 110.896 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 47.1 t -51.24 -30.17 16.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 70.21 110.898 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -55.09 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.02 110.851 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.517 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -48.72 -45.61 39.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 72.04 111.07 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 6.4 mmm -51.47 -51.73 52.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.882 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.9 -66.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.883 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.695 ' CD1' HG22 ' A' ' 113' ' ' ILE . 1.1 pp -50.41 -29.33 9.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.873 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.2 OUTLIER -55.91 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 72.43 110.894 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -55.38 172.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 64.03 110.853 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -83.35 171.45 13.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 75.12 110.841 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 62.65 66.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.814 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -148.17 48.82 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.861 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -162.1 170.5 19.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 64.31 110.872 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 55.1 110.891 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.804 0.335 . . . . 74.11 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -52.92 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.32 110.864 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.22 167.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.851 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.36 -65.06 0.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 72.3 110.935 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 75.1 m-20 52.73 35.53 18.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.877 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . -177.94 58.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 62.41 112.462 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.63 124.14 24.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.918 0.389 . . . . 75.13 110.964 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 39.3 t30 -94.36 118.47 67.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.732 . . . . 64.15 110.908 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1009 ' ' PRO . . . . . 0.492 ' HG3' HD13 ' A' ' 127' ' ' LEU . 53.8 Cg_endo -69.73 -8.44 23.62 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 62.44 112.347 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -18.8 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 62.33 110.897 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 1.3 t -162.58 114.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 64.34 111.176 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 54.43 110.873 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.722 0.296 . . . . 72.33 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -165.12 -172.72 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 61.31 110.932 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -53.58 150.61 6.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 60.21 110.952 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.92 -8.03 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.844 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 t0 65.49 52.85 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 64.33 110.907 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.56 -162.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 62.12 110.88 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.499 ' CE2' HG23 ' A' ' 11' ' ' VAL . 3.6 t80 -48.05 -26.45 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 73.51 110.883 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -46.71 -57.28 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 63.22 110.919 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -53.18 -51.71 61.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.886 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.755 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 33.3 t80 -55.9 -70.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 65.41 110.853 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.499 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -47.32 -44.93 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 54.05 111.108 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.19 -49.03 67.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 70.23 111.094 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.531 HG21 ' O ' ' A' ' 28' ' ' ARG . 23.7 m -57.8 -53.02 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 45.31 111.148 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HA ' HD12 ' A' ' 14' ' ' LEU . 11.9 tp -56.2 -53.4 57.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.911 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.07 -59.72 3.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.898 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 t -57.28 -29.18 63.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 60.32 110.868 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.935 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -54.99 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 75.13 110.907 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -57.83 -36.17 71.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 73.55 110.905 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.2 -14.58 11.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 74.53 110.865 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -70.06 172.22 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 63.43 110.883 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 59.19 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.849 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.8 p -165.16 -52.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 54.43 110.838 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' H ' HD11 ' A' ' 20' ' ' LEU . . . 111.63 0.66 27.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 64.43 112.493 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.413 ' N ' HD11 ' A' ' 20' ' ' LEU . 3.2 mp -149.25 140.89 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 42.32 111.117 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -158.96 110.73 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.888 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.21 -53.33 35.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 75.13 112.487 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m -46.46 -53.18 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 64.32 110.836 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.531 ' O ' HG21 ' A' ' 13' ' ' THR . 10.0 mpt_? -54.18 -59.01 5.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 72.05 110.889 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.438 ' HA ' HD12 ' A' ' 32' ' ' LEU . 58.5 mt -49.53 -43.02 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 61.43 111.127 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.626 ' O ' HG22 ' A' ' 34' ' ' THR . 16.3 mttt -55.53 -59.75 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 70.34 110.876 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -48.22 52.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 62.43 110.896 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.513 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.4 mt -57.9 -53.05 62.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.916 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.8 m -57.27 -71.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 71.21 111.122 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.5 t -41.45 -44.95 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 52.45 111.138 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.491 ' N ' HG23 ' A' ' 34' ' ' THR . 20.6 t80 -58.98 -56.77 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 63.31 110.938 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.59 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.53 -57.61 5.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 73.31 111.094 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.816 HD21 ' HB1' ' A' ' 75' ' ' ALA . 2.7 mp -57.33 -48.55 78.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.942 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -57.05 -24.08 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.859 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.611 ' CB ' HD11 ' A' ' 42' ' ' ILE . 34.7 m80 -132.95 84.56 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.847 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.574 ' CG2' HG22 ' A' ' 93' ' ' THR . 21.7 mm -78.05 -2.29 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 53.42 111.153 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -89.26 24.86 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.874 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.657 HG22 ' CE ' ' A' ' 45' ' ' LYS . 1.4 pt -152.31 29.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.13 111.164 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.5 pp20? -57.94 -37.36 73.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 75.24 110.9 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -57.78 -73.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 44.23 110.853 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.657 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.77 -46.24 20.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.24 110.955 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.755 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 85.2 mt -56.56 -71.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.54 111.136 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.762 HD12 HD11 ' A' ' 101' ' ' LEU . 40.1 mm -47.55 -47.69 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.131 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.9 m -57.16 -43.6 82.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.844 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.506 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.4 tp -57.78 -67.97 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 75.54 110.948 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.59 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.9 pt -44.89 -45.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 61.42 111.177 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.35 -55.81 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 54.43 111.133 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -42.75 80.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 51.31 110.89 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.755 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.8 t80 -56.6 -38.75 72.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.915 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.589 ' OG ' HD22 ' A' ' 108' ' ' LEU . 37.2 p -63.4 -70.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 75.34 110.903 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.488 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -56.42 -26.69 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 74.13 110.861 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 53' ' ' TYR . 4.3 mt -44.05 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 74.3 110.924 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.685 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -94.33 169.49 9.69 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.603 0.716 . . . . 61.43 110.878 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.5 Cg_endo -69.77 -157.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 70.21 112.316 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' PRO . 56.7 t0 -30.02 -53.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.852 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' ASP . 65.5 m -34.0 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 71.11 110.89 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.685 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 7.2 m170 -59.89 -36.84 77.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 53.32 110.833 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.0 mmtt -47.71 -66.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 71.04 110.899 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.3 tp -52.36 -56.89 11.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 54.24 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.33 -46.59 35.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 62.14 112.46 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -53.55 56.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 61.14 110.86 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.648 HD12 HG12 ' A' ' 124' ' ' ILE . 6.6 mt -44.74 -51.83 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 75.2 110.926 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -57.14 -50.07 73.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 62.33 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.1 mt -57.13 -55.44 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 64.01 111.156 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -56.7 -35.39 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.51 111.097 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -56.65 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.831 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -57.27 13.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 63.02 110.892 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.5 -45.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.21 111.133 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.48 -60.55 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 75.21 112.452 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -49.61 -54.35 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 72.41 110.863 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.816 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -55.67 -59.34 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.42 111.126 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.59 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.2 m-30 -49.26 -48.69 45.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 71.51 110.916 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' HA ' HD11 ' A' ' 98' ' ' ILE . 5.8 tp -52.83 -61.4 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 72.01 110.917 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.64 -40.36 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.895 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.648 ' HG3' HD23 ' A' ' 37' ' ' LEU . 14.6 mm-40 -55.18 -72.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.898 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.0 t -55.38 -42.98 74.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 45.4 111.157 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -53.98 -37.09 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 62.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -51.9 -29.84 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 54.52 110.845 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -116.34 -75.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 75.43 110.884 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.56 139.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.892 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -91.81 79.26 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.885 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.7 m -52.38 109.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -69.34 136.49 51.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 50.24 110.849 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -166.66 150.54 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 71.41 110.87 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -96.15 34.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 62.33 110.951 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -157.06 160.95 30.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 72.04 110.925 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 152.84 69.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.707 2.271 . . . . 75.11 112.315 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.26 -43.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 72.54 112.453 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.574 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -157.79 -174.99 5.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 51.04 111.118 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.436 ' SG ' HD12 ' A' ' 40' ' ' ILE . 98.0 m -44.58 -36.81 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.847 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.27 -70.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.079 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -54.02 -37.22 63.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.7 -56.12 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 62.42 111.092 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.81 HG23 ' CE1' ' A' ' 137' ' ' PHE . 73.9 mt -56.17 -51.5 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.22 111.11 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -56.67 -57.38 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.922 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 55.3 m -48.78 -57.78 5.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 72.12 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.762 HD11 HD12 ' A' ' 47' ' ' ILE . 54.1 mt -49.69 -59.23 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 64.21 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.87 -15.07 26.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 64.33 112.465 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.559 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -88.96 -13.31 39.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 72.34 110.841 -179.814 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.559 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.0 m -120.58 -18.55 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 64.14 111.155 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.668 HG23 HD21 ' A' ' 142' ' ' LEU . 2.5 tp -50.45 -29.16 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.4 111.171 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.933 ' HA ' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -51.95 -71.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 55.11 110.918 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.72 -40.21 75.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 63.23 110.866 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.589 HD22 ' OG ' ' A' ' 54' ' ' SER . 31.5 mt -54.09 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.934 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.046 HD22 HD11 ' A' ' 128' ' ' LEU . 4.9 mt -55.12 -71.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.901 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 73.3 p -35.52 -57.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 54.11 110.851 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -54.57 -52.67 61.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 74.41 110.856 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.23 -49.92 40.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 72.55 111.147 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.526 HG22 HD11 ' A' ' 154' ' ' LEU . 3.0 mt -56.1 -50.41 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 61.23 111.141 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.504 ' HB3' ' HE2' ' A' ' 115' ' ' LYS . . . -57.33 -62.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 73.43 111.099 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -55.34 -24.23 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.882 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.5 m -85.05 159.58 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.872 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.47 -175.76 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.864 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.599 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 41.7 tt0 -42.22 -51.14 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.909 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.2 -71.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 64.15 110.921 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -46.49 -59.12 3.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -44.96 -38.94 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.913 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -62.32 -44.02 97.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 75.34 110.854 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -57.67 -47.84 81.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.865 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.648 HG12 HD12 ' A' ' 66' ' ' LEU . 55.5 mt -58.66 -46.69 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.51 111.121 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.12 -57.17 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.863 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.6 ptm -56.93 -40.67 76.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 71.05 110.904 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.511 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 43.2 tp -54.17 -52.69 60.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 61.44 110.918 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 1.046 HD11 HD22 ' A' ' 109' ' ' LEU . 8.0 mt -55.83 -45.29 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.915 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -52.95 -51.41 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.842 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.08 -40.26 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 70.43 111.138 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.723 ' CD1' HD13 ' A' ' 136' ' ' LEU . 37.6 m0 -53.18 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.924 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.9 -37.41 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 41.41 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -55.87 -64.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.859 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.4 t -55.71 -75.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.88 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 169.8 35.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 72.11 112.495 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.723 HD13 ' CD1' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -68.07 -165.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 74.45 110.904 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.81 ' CE1' HG23 ' A' ' 98' ' ' ILE . 4.1 m-85 -60.54 -167.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.856 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.37 74.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.897 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.735 ' HE2' HD13 ' A' ' 142' ' ' LEU . 4.5 mmpt? -91.45 -7.3 50.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 62.32 110.882 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.5 t -81.37 -4.81 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.21 110.84 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -153.81 24.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 74.11 110.941 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.735 HD13 ' HE2' ' A' ' 139' ' ' LYS . 13.4 tp -62.83 114.41 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.943 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.453 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 2.4 t30 -43.98 -39.49 4.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 52.13 110.887 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.933 ' HB2' ' HA ' ' A' ' 106' ' ' GLN . . . -40.66 -88.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.123 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.71 HG21 HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -66.82 -27.79 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 62.12 111.203 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.453 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 5.8 ttt180 -34.67 -54.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 70.45 110.893 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 91.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 70.23 110.873 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.39 -34.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 71.35 110.933 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 1.8 t -44.4 -34.51 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.866 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.577 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 18.8 m-85 -58.96 -94.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 64.13 110.879 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.956 ' HA ' HD22 ' A' ' 154' ' ' LEU . . . -34.58 -45.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 42.35 111.099 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.52 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 0.1 OUTLIER -59.68 -72.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.883 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.19 -60.78 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.962 HD23 ' N ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -38.86 -35.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 72.24 110.897 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.962 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -57.31 -74.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 65.22 110.866 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -65.72 138.42 57.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 73.54 110.869 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -172.88 -169.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.832 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -53.81 153.68 4.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.897 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.58 139.59 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.855 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -170.1 121.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.894 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.832 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.317 . . . . 71.24 110.831 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -153.42 31.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 75.03 110.87 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 37.2 t0 -132.91 27.53 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 72.11 110.85 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 2.0 tt0 52.54 34.53 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 61.34 110.854 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -175.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.898 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 87.96 147.78 14.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 65.33 112.479 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 48.0 t80 -173.75 114.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.367 . . . . 75.43 110.903 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.18 137.09 21.71 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.57 0.7 . . . . 73.12 110.921 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -14.85 36.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 72.11 112.338 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.96 1.23 32.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.15 110.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 3.4 p -122.24 162.35 21.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 65.35 111.096 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.943 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ptp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.77 0.319 . . . . 65.32 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -172.19 -176.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 65.04 110.912 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -53.69 168.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 70.21 110.919 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -69.85 -12.85 61.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 65.2 110.893 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 65.49 45.64 2.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.823 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.78 -161.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.868 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CE2' HG23 ' A' ' 11' ' ' VAL . 1.3 t80 -56.23 -14.09 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.893 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -53.26 -68.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 72.2 110.938 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.521 HD22 ' HD2' ' A' ' 35' ' ' TYR . 4.1 p-10 -52.68 -47.84 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.858 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.76 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 52.3 t80 -53.59 -70.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 75.24 110.9 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.54 HG23 ' CE2' ' A' ' 7' ' ' PHE . 1.2 t -51.43 -43.13 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 64.23 111.122 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.438 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.99 -48.09 70.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 34.43 111.109 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.551 HG21 ' O ' ' A' ' 28' ' ' ARG . 29.4 m -57.73 -53.29 59.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 64.31 111.126 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' CD1' HD13 ' A' ' 68' ' ' ILE . 14.2 tp -55.55 -50.92 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 63.13 110.911 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.91 -53.72 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 64.51 110.929 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -57.7 -30.39 65.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 55.35 110.862 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.687 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -58.08 -61.46 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.839 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' CB ' ' CE1' ' A' ' 61' ' ' HIS . 12.8 pttt -54.35 -36.83 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 73.21 110.928 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.14 -28.11 56.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 61.15 110.882 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 17' ' ' PHE . 14.2 mt -67.31 98.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.94 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -25.86 6.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 71.52 110.915 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.12 51.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 64.32 110.819 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.7 42.65 1.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 71.02 112.511 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.687 HG23 ' CZ ' ' A' ' 17' ' ' PHE . 6.7 mt -49.1 104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 54.11 111.07 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -100.33 127.43 46.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.843 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.77 -27.23 49.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 73.1 112.488 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.47 -54.2 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 71.52 110.865 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.551 ' O ' HG21 ' A' ' 13' ' ' THR . 10.4 mpt_? -50.56 -52.66 36.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.875 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.5 HG23 ' HA ' ' A' ' 68' ' ' ILE . 80.6 mt -50.99 -46.95 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 64.42 111.168 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' HG22 ' A' ' 34' ' ' THR . 17.3 mtmt -55.24 -52.1 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.878 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -51.22 -49.96 60.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 72.4 110.899 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.1 mt -58.16 -47.59 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.914 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.528 HG23 ' HA ' ' A' ' 72' ' ' ILE . 2.9 m -57.75 -69.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 72.4 111.168 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 35' ' ' TYR . 9.1 t -43.01 -45.11 4.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 33.45 111.163 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.521 ' HD2' HD22 ' A' ' 9' ' ' ASN . 13.8 t80 -58.16 -57.52 12.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 71.01 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.69 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.81 -56.86 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 73.31 111.105 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD23 ' HG3' ' A' ' 79' ' ' GLU . 3.9 mp -57.39 -47.81 80.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 62.05 110.917 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -56.31 -24.81 45.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.845 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.668 ' HB2' HD11 ' A' ' 42' ' ' ILE . 30.1 m-70 -132.89 85.11 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.854 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.522 HG22 HG22 ' A' ' 93' ' ' THR . 19.4 mm -77.99 -1.38 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 51.21 111.108 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -90.41 21.57 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 44.3 110.918 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.4 pt -149.27 27.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 60.03 111.091 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.699 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.6 pm0 -57.18 -35.69 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.892 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.4 t -58.65 -73.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.3 110.838 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.46 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.18 -46.63 23.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.921 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.76 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 68.7 mt -55.98 -72.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.05 111.127 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.709 HD12 HD11 ' A' ' 101' ' ' LEU . 40.8 mm -47.39 -45.05 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 63.54 111.11 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -59.19 -43.09 92.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 70.22 110.838 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.33 -65.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 42.25 110.915 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.58 HD12 HG12 ' A' ' 69' ' ' ILE . 6.8 pt -48.05 -46.38 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.3 111.132 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.434 HD12 HG22 ' A' ' 47' ' ' ILE . 74.6 mt -56.68 -58.3 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 64.32 111.132 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.36 -47.8 75.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.831 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.743 ' HA ' HD12 ' A' ' 56' ' ' LEU . 3.0 t80 -54.2 -35.34 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.869 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 t -62.22 -75.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 54.23 110.848 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -26.52 59.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 63.1 110.878 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 53' ' ' TYR . 3.8 mt -40.99 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 72.14 110.89 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.657 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -94.32 170.16 8.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 53.21 110.903 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 59' ' ' ASP . 54.1 Cg_endo -69.73 -159.11 0.05 OUTLIER 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.694 2.263 . . . . 74.42 112.358 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -28.96 -53.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.883 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 59' ' ' ASP . 15.8 t -30.67 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.841 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.657 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.5 m80 -61.97 -47.16 86.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 71.05 110.904 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' A' ' 112' ' ' ALA . 11.4 mttp -34.2 -64.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 71.14 110.907 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 13.5 tp -57.91 -54.99 40.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.901 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.88 -59.14 7.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 74.51 112.475 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.8 p -48.75 -53.57 18.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 73.0 110.897 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.59 HD12 HG12 ' A' ' 124' ' ' ILE . 0.5 OUTLIER -43.18 -54.68 4.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.488 . . . . 53.53 110.944 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.543 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 13.8 m-85 -56.38 -48.85 76.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 72.32 110.917 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.5 ' HA ' HG23 ' A' ' 29' ' ' ILE . 8.2 mt -57.01 -56.44 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 74.3 111.152 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.58 HG12 HD12 ' A' ' 50' ' ' ILE . 56.0 mt -55.54 -37.01 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.084 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -56.22 -57.65 11.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.912 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 t -55.69 -54.15 47.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 63.11 110.835 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.528 ' HA ' HG23 ' A' ' 33' ' ' THR . 63.1 mt -55.09 -46.58 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 73.23 111.126 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.409 ' HA3' HD21 ' A' ' 136' ' ' LEU . . . -55.29 -57.82 16.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 72.0 112.478 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' NH2' HD22 ' B' 1012 ' ' LEU . 0.0 OUTLIER -50.21 -55.99 12.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.21 110.893 -179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -56.13 -54.89 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.01 111.115 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.69 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.1 m-30 -51.26 -50.24 59.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.01 110.916 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp -51.27 -58.08 7.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 52.31 110.875 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -42.51 68.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.863 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.55 ' HG3' HD23 ' A' ' 37' ' ' LEU . 27.8 mm-40 -55.59 -71.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.884 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.2 t -54.48 -45.34 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.125 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.413 ' N ' HG23 ' A' ' 80' ' ' THR . 52.7 ttt180 -52.05 -37.66 54.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 70.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.21 -30.22 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 72.45 110.863 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -118.77 -76.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.23 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.8 t -168.85 158.45 8.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.818 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -117.14 -175.49 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 64.1 110.867 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.55 ' H ' ' HB1' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -178.51 -175.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.877 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.0 t -172.64 160.72 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 61.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 t -174.87 35.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 73.55 110.818 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.4 t30 51.14 49.49 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 72.43 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -177.05 137.84 0.42 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.536 0.684 . . . . 64.11 110.916 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.444 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.3 Cg_endo -69.79 160.83 48.26 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.677 2.251 . . . . 61.44 112.315 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.555 ' O ' HG23 ' A' ' 93' ' ' THR . . . 177.54 -31.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 73.23 112.488 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 92' ' ' GLY . 0.6 OUTLIER -166.07 -175.22 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.299 . . . . 54.51 111.199 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.19 -52.02 7.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 73.54 110.887 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.55 ' HB1' ' H ' ' A' ' 86' ' ' SER . . . -48.62 -66.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.33 111.127 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 79.8 m-70 -52.65 -39.65 62.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 61.31 110.849 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.699 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -54.34 -58.01 9.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.149 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 68.3 mt -55.02 -45.08 76.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.25 111.163 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -55.82 -52.06 65.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.933 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.8 m -55.3 -51.96 65.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 71.21 111.114 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.709 HD11 HD12 ' A' ' 47' ' ' ILE . 40.2 mt -53.1 -56.68 14.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.914 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -57.83 -17.71 29.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 74.03 112.489 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.555 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -86.32 -14.4 43.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 73.41 110.851 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.555 HG13 ' HG2' ' A' ' 103' ' ' GLU . 4.3 m -117.36 -18.75 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.35 111.137 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.6 tp -51.99 -26.67 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.02 111.11 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.899 ' HA ' ' HB2' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -55.49 -72.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 54.22 110.918 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -56.16 -42.29 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.0 mt -55.11 -60.71 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 70.22 110.915 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.661 HD13 HD21 ' A' ' 128' ' ' LEU . 15.0 mt -53.79 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 54.21 110.899 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 109' ' ' LEU . 7.5 p -37.17 -63.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 54.43 110.906 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -49.39 -50.47 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 63.01 110.927 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.484 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -47.75 -56.91 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.51 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.6 HG22 HD13 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -56.49 -49.08 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.158 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.431 ' HA ' ' HB3' ' A' ' 154' ' ' LEU . . . -58.19 -66.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 25.35 111.091 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -45.84 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.877 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.508 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 73.3 p -60.59 163.11 5.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.842 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -100.1 178.06 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 74.44 110.877 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.611 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 0.9 OUTLIER -39.05 -52.63 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.92 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.89 -72.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 62.25 110.866 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.508 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 16.0 m170 -45.44 -58.66 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 64.11 110.859 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.52 -39.37 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 65.0 110.922 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -60.9 -44.55 96.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 70.12 110.893 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -57.17 -48.34 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 73.21 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.59 HG12 HD12 ' A' ' 66' ' ' LEU . 24.1 mt -56.91 -49.38 79.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 65.42 111.176 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -52.22 53.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.869 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.9 tpp -55.68 -49.53 72.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 52.45 110.904 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.637 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 20.7 tp -51.32 -45.73 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.891 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.661 HD21 HD13 ' A' ' 109' ' ' LEU . 5.2 mt -55.71 -49.01 74.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.948 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -51.08 62.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.818 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.8 mt -57.86 -44.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.44 111.141 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.637 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 17.6 m0 -51.22 -58.38 6.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.894 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.5 -47.25 76.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 72.25 110.908 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -55.27 -54.65 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 62.45 110.879 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.1 t -55.06 -75.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.899 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 139.86 39.5 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 64.22 112.474 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.409 HD21 ' HA3' ' A' ' 73' ' ' GLY . 29.9 tp -99.54 -76.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 72.02 110.922 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -98.83 23.77 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 64.41 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -74.86 69.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 51.4 110.909 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -98.18 -9.88 24.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.85 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.8 p 53.28 24.18 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 61.55 110.859 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.545 ' N ' HD13 ' A' ' 142' ' ' LEU . 4.8 t80 -146.29 62.83 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 73.44 110.854 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.863 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -125.95 119.09 26.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 72.34 110.919 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.508 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 6.4 t30 -55.21 -25.2 31.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.901 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.899 ' HB2' ' HA ' ' A' ' 106' ' ' GLN . . . -39.81 -94.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 71.45 111.078 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.652 HG21 HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -68.85 -21.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 71.33 111.143 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.508 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 3.3 ttt180 -39.09 -54.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.893 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 p -74.3 89.43 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 53.21 110.874 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -40.33 -38.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 72.55 110.943 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 4.0 m -39.18 -41.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.878 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -57.71 -87.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.847 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.542 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -43.5 -48.14 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 64.33 111.118 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.423 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 4.9 mtt -52.14 -50.46 61.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 65.15 110.891 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.22 -67.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.856 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.6 HD13 HG22 ' A' ' 113' ' ' ILE . 0.7 OUTLIER -49.11 -31.55 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.906 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -49.56 100.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 65.23 110.836 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -66.66 -31.76 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 52.22 110.836 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -64.84 140.99 58.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.839 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -70.4 119.18 14.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 62.43 110.885 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -120.55 168.53 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.834 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -114.84 83.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.811 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 70.35 110.85 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.789 0.328 . . . . 72.02 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 1.8 t0 -176.66 33.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 63.33 110.833 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.49 165.01 30.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 64.02 110.911 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -51.44 113.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 54.11 110.897 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -118.27 160.57 21.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.866 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 80.62 77.23 0.99 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 72.13 112.541 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 2.5 t80 -80.47 122.98 27.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.902 0.382 . . . . 63.34 110.867 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -91.37 114.62 62.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 75.41 110.936 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -7.68 21.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 51.35 112.382 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -23.54 57.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.927 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 19.5 p -130.75 132.35 45.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 74.3 111.168 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.408 HD22 ' NH2' ' A' ' 74' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 71.03 110.909 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.2 mmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.663 0.268 . . . . 61.4 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -101.05 27.08 6.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 60.24 110.862 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -166.24 140.63 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.873 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.9 133.14 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.876 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -121.38 -6.55 9.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.857 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -85.32 -95.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 70.21 110.863 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -56.82 -32.85 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.54 110.899 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -57.59 -55.04 40.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.7 -53.43 54.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 53.3 110.861 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.767 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 32.9 t80 -54.59 -69.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 64.41 110.891 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -48.38 -45.42 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 51.3 111.147 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -51.44 -50.62 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.127 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 28' ' ' ARG . 28.1 m -56.69 -53.5 57.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 72.12 111.187 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 53' ' ' TYR . 9.8 tp -55.7 -53.62 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 44.43 110.87 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.04 -59.92 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 72.43 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -30.78 54.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 65.4 110.841 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -64.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 72.52 110.893 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -55.86 -36.52 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.84 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.02 -24.55 39.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 64.51 110.875 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.4 mt -71.55 165.03 24.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 52.33 110.941 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 67.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.15 110.924 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 p 66.69 28.85 8.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 53.22 110.876 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.23 -44.55 7.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 70.23 112.51 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 mt 50.64 79.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 74.15 111.132 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.17 124.67 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.86 -36.89 51.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 74.22 112.513 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -51.34 57.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 74.05 110.826 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.567 ' O ' HG21 ' A' ' 13' ' ' THR . 9.9 mpt_? -52.25 -62.45 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 75.33 110.863 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.49 ' HA ' HD12 ' A' ' 32' ' ' LEU . 56.3 mt -47.46 -42.87 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 65.22 111.119 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.653 ' O ' HG22 ' A' ' 34' ' ' THR . 16.4 mttt -56.4 -54.19 48.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.926 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -48.48 64.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 55.43 110.913 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.539 HD23 ' CD1' ' A' ' 10' ' ' PHE . 9.9 mt -57.57 -52.11 66.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.946 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.411 ' HA ' HG12 ' A' ' 72' ' ' ILE . 6.3 m -57.91 -71.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 52.02 111.1 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.6 t -41.33 -44.29 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 74.54 111.173 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' HG23 ' A' ' 34' ' ' THR . 13.7 t80 -58.68 -56.85 16.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.933 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.13 -56.64 8.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 72.03 111.091 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.745 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.3 mp -57.54 -47.42 82.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 62.13 110.931 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -57.16 -23.89 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.849 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.618 ' HB2' HD11 ' A' ' 42' ' ' ILE . 32.6 m170 -133.92 85.07 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.846 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.602 HG22 HG22 ' A' ' 93' ' ' THR . 21.5 mm -77.94 -2.84 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 63.11 111.134 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -88.82 23.49 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 44.23 110.867 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.618 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.6 pt -151.5 30.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.1 111.165 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.2 pp20? -58.04 -37.18 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.869 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.3 t -58.14 -73.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 65.43 110.847 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.567 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.69 -47.13 20.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 75.21 110.878 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.767 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 81.7 mt -55.96 -72.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 72.14 111.139 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.726 HD12 HD11 ' A' ' 101' ' ' LEU . 42.4 mm -46.84 -47.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.43 111.124 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 m -57.01 -42.23 79.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 71.52 110.855 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.451 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.2 tp -58.33 -65.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 62.01 110.929 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 47' ' ' ILE . 8.0 pt -49.16 -44.95 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 71.12 111.156 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.2 mt -55.71 -63.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 62.33 111.166 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.85 -48.4 75.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 70.31 110.883 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.466 ' CB ' HD21 ' A' ' 14' ' ' LEU . 1.5 t80 -51.24 -40.03 57.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.922 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.599 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 25.6 p -62.25 -77.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.907 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.561 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -41.61 -34.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 62.42 110.88 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' HG ' ' HD3' ' A' ' 55' ' ' ARG . 17.4 mt -58.36 -77.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.952 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.42 155.13 1.35 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 74.5 110.869 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -155.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.733 2.289 . . . . 71.41 112.353 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.475 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 5.8 p-10 -40.08 -47.07 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 70.02 110.888 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -44.11 -40.06 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 62.41 110.853 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.22 -47.23 84.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.845 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.523 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -45.01 -63.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.91 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.9 tp -61.3 -58.23 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.975 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.56 -70.93 0.71 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 73.13 112.484 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -39.06 -53.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 71.32 110.865 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.728 HD22 HD23 ' A' ' 127' ' ' LEU . 4.6 mt -43.89 -53.66 5.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 55.14 110.865 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -58.07 -48.87 78.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 72.51 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.8 mt -56.15 -59.56 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.14 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.9 mt -56.08 -33.07 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.155 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -58.11 -57.42 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 74.31 110.876 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -55.8 -57.0 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 63.42 110.888 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 33' ' ' THR . 62.0 mt -55.22 -45.57 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 52.22 111.132 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.61 -62.89 5.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 74.14 112.491 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.532 HH12 HD22 ' B' 1012 ' ' LEU . 2.1 mtm105 -48.47 -54.32 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 75.32 110.882 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.745 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -54.78 -60.51 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 54.32 111.112 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.589 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.1 m-30 -48.77 -49.23 39.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.866 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.527 HD23 ' HA3' ' A' ' 135' ' ' GLY . 49.9 tp -51.93 -61.87 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 74.3 110.923 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -41.47 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.903 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.64 ' HG3' HD23 ' A' ' 37' ' ' LEU . 6.8 mm-40 -53.95 -72.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 70.41 110.878 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.1 t -55.48 -42.83 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 52.52 111.153 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -51.82 -39.21 58.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.55 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -51.16 -30.39 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.872 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -112.27 -74.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 70.33 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.54 133.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 65.22 110.838 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -63.84 106.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 74.41 110.926 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -52.54 167.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 51.24 110.835 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.1 m -52.92 129.32 30.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.869 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.4 t -78.29 60.28 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.846 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -144.4 116.97 8.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 74.44 110.902 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? 63.37 160.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.528 0.68 . . . . 64.53 110.905 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 155.98 64.64 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 73.12 112.372 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.61 -43.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 70.2 112.504 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.602 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -158.24 -174.27 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 72.44 111.143 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.432 ' SG ' HD12 ' A' ' 40' ' ' ILE . 88.6 m -45.43 -35.32 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 54.53 110.906 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.47 -71.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 64.02 111.102 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.458 ' HA ' HD22 ' A' ' 99' ' ' ASN . 34.0 t-80 -53.26 -36.32 61.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -57.54 -54.87 41.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 61.15 111.086 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.516 HD11 ' HA ' ' A' ' 77' ' ' LEU . 74.1 mt -55.58 -58.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.136 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.458 HD22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -55.37 -45.19 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.886 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.5 m -56.03 -58.95 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 71.35 111.138 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 47' ' ' ILE . 35.7 mt -51.11 -55.52 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.935 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -57.47 -17.08 24.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 34.33 112.506 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.592 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -84.86 -14.31 48.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 75.1 110.892 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.63 HG23 HD11 ' A' ' 108' ' ' LEU . 3.0 m -119.9 -17.18 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 71.54 111.085 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.786 ' HA ' HD12 ' A' ' 108' ' ' LEU . 2.3 tp -53.29 -26.24 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 73.33 111.153 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.458 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -51.23 -68.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 60.01 110.911 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -55.71 -44.03 77.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 105' ' ' ILE . 21.7 mt -55.24 -69.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.934 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.604 HD12 ' CG1' ' A' ' 105' ' ' ILE . 1.2 mt -52.17 -63.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 75.41 110.946 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 109' ' ' LEU . 43.0 m -36.99 -71.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 65.35 110.889 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.06 -41.05 16.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 61.23 110.817 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 109' ' ' LEU . . . -57.07 -60.95 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.071 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.604 HG22 ' CD1' ' A' ' 154' ' ' LEU . 0.9 OUTLIER -55.52 -45.58 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 60.31 111.164 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.46 -69.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.0 111.126 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -50.55 63.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.883 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.505 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 96.1 p -48.27 145.74 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 54.22 110.829 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' GLN . 3.9 p30 -98.05 -177.87 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 51.23 110.89 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.601 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 64.9 tt0 -35.82 -55.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.949 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.44 -72.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.848 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.505 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 18.8 m170 -45.46 -58.86 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 71.02 110.875 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.601 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.42 -38.21 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.922 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -61.46 -43.75 98.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.892 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -58.3 -45.09 88.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 63.3 110.89 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.602 HG21 HG12 ' A' ' 113' ' ' ILE . 40.3 mt -61.82 -46.32 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 75.02 111.144 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -55.34 -60.1 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 61.13 110.847 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 127' ' ' LEU . 26.8 ptm -52.21 -42.34 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 65.44 110.846 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.728 HD23 HD22 ' A' ' 66' ' ' LEU . 39.5 tp -55.39 -46.58 76.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 73.24 110.97 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.71 HD11 HG21 ' A' ' 145' ' ' ILE . 0.1 OUTLIER -56.21 -49.45 74.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.895 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -51.93 -51.48 56.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.851 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.64 -41.67 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 72.4 111.117 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.516 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 8.4 m0 -55.35 -56.12 23.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.878 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.36 -52.71 43.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -56.9 -72.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 43.23 110.869 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.4 t -58.85 -80.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 55.22 110.867 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.527 ' HA3' HD23 ' A' ' 77' ' ' LEU . . . -154.89 145.37 12.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 52.11 112.465 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.605 ' O ' ' C ' ' A' ' 137' ' ' PHE . 2.7 tm? -160.66 134.36 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 75.42 110.923 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.605 ' C ' ' O ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -19.36 -68.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 53.0 110.883 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -102.63 155.43 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.911 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.5 77.26 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.53 110.9 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.0 p 48.11 58.34 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.841 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -149.75 22.1 0.9 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 74.1 110.976 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.76 93.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 70.42 110.922 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.414 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 43.9 m-80 -39.3 -40.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.921 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -42.55 -90.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 65.34 111.088 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.71 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -63.79 -26.66 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 74.41 111.097 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.414 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 3.0 ttt180 -38.58 -51.96 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 72.32 110.88 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.5 t -57.06 98.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 42.32 110.829 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.55 -28.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 61.34 110.875 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 15.5 t -49.01 -35.2 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 63.51 110.865 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -56.77 -86.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.14 110.899 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.499 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -45.6 -47.2 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 74.02 111.085 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.431 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 63.7 mmm -52.36 -49.68 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.863 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.66 -68.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 72.31 110.889 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.604 ' CD1' HG22 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -48.49 -32.07 7.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.909 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.2 OUTLIER -47.71 -32.51 5.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 71.35 110.888 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -51.95 115.31 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.876 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -176.44 -175.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.856 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 -52.68 115.53 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 65.11 110.894 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -80.45 -175.66 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 71.2 110.839 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -152.46 -175.97 5.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.874 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 65.14 110.836 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 45.6 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.82 0.343 . . . . 64.11 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -134.79 30.52 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.852 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -94.26 54.55 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.856 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 26.1 tt0 59.06 76.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 64.13 110.883 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.42 179.1 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 74.42 110.858 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 92.07 34.37 7.23 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 73.3 112.459 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 45.6 t80 -55.57 119.91 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 74.31 110.904 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -96.61 137.16 21.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.73 . . . . 62.14 110.892 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1009 ' ' PRO . . . . . 0.511 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.7 Cg_endo -69.78 -11.26 30.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.622 2.214 . . . . 65.1 112.357 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.35 -25.03 24.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.9 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 11.5 p -144.34 128.13 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 72.2 111.137 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.572 ' H ' HD23 ' B' 1012 ' ' LEU . 1.3 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.906 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.724 0.297 . . . . 73.33 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -139.18 152.74 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.871 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -79.9 -25.31 40.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.887 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.62 -13.78 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 72.02 110.899 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -138.08 70.41 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 71.14 110.876 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -98.63 -164.03 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.843 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -46.9 -29.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.865 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -49.93 -57.32 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.947 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.41 -51.65 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.52 110.893 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 30.0 t80 -56.03 -69.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.89 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.94 -45.24 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.134 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.438 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.29 -49.53 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 54.43 111.083 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.595 HG21 ' O ' ' A' ' 28' ' ' ARG . 38.8 m -57.64 -53.79 54.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 63.35 111.134 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 53' ' ' TYR . 11.2 tp -55.51 -54.18 47.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 64.13 110.933 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -49.58 -55.55 13.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 72.53 110.923 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -56.13 -31.54 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 54.52 110.821 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.517 ' HZ ' HG23 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -56.52 -62.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.888 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -56.84 -36.19 69.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 63.1 110.901 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -56.44 -23.77 40.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 71.4 110.816 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.1 mt -74.12 167.77 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.926 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.24 65.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.14 110.918 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 67.97 34.26 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 75.21 110.864 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.18 -51.2 3.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 61.24 112.46 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.517 HG23 ' HZ ' ' A' ' 17' ' ' PHE . 7.3 mt 56.88 80.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 74.13 111.116 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.13 125.73 31.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 54.41 110.895 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.35 -38.03 40.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 60.12 112.508 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -55.08 -47.6 74.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 75.53 110.893 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.595 ' O ' HG21 ' A' ' 13' ' ' THR . 5.4 mpt_? -52.83 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 65.24 110.874 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.615 ' HA ' HD12 ' A' ' 32' ' ' LEU . 79.1 mt -47.53 -43.62 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 52.25 111.135 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 34' ' ' THR . 16.3 mtmt -56.05 -53.23 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.898 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.76 -47.57 64.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.907 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 29' ' ' ILE . 6.7 mt -57.87 -51.8 68.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 64.32 110.901 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.423 HG23 ' HA ' ' A' ' 72' ' ' ILE . 16.4 m -57.51 -70.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.154 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.2 t -42.68 -45.29 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 51.34 111.195 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.478 ' N ' HG23 ' A' ' 34' ' ' THR . 19.7 t80 -58.25 -54.46 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 65.13 110.931 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.616 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.17 -57.08 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 30.12 111.093 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.712 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.1 mp -57.42 -46.64 83.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.915 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -55.59 -27.47 49.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 74.52 110.856 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.671 ' HB3' HD11 ' A' ' 42' ' ' ILE . 3.1 t-160 -130.54 84.54 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.831 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.587 HG22 ' O ' ' A' ' 40' ' ' ILE . 21.4 mm -79.5 2.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.132 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -92.97 17.3 10.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 65.24 110.856 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.671 HD11 ' HB3' ' A' ' 39' ' ' HIS . 3.0 pt -147.56 33.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 70.43 111.124 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.714 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -59.44 -34.14 72.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.871 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 33.1 t -59.73 -73.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.831 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.478 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.25 -47.61 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.914 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.8 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 68.4 mt -56.56 -73.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.16 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.788 HD12 HD11 ' A' ' 101' ' ' LEU . 40.4 mm -45.78 -49.75 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 64.24 111.154 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -56.91 -41.74 78.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 72.1 110.848 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.6 tp -57.6 -66.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 74.3 110.891 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.476 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.6 pt -48.8 -44.7 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.54 111.14 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.491 ' CD1' HG22 ' A' ' 47' ' ' ILE . 74.3 mt -55.7 -63.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 73.4 111.161 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -49.88 74.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 72.31 110.84 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.472 ' CB ' HD21 ' A' ' 14' ' ' LEU . 3.6 t80 -48.73 -41.56 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.2 110.959 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 56.3 p -62.24 -76.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 60.12 110.838 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.519 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -41.91 -35.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 71.05 110.888 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.29 -77.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 60.35 110.916 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 61' ' ' HIS . 88.4 m -47.41 150.14 1.72 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.635 0.731 . . . . 41.51 110.857 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -153.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.734 2.29 . . . . 75.32 112.315 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.86 -46.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.82 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.5 t -43.22 -42.61 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 61.42 110.831 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.527 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -58.06 -46.84 84.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 61.51 110.857 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.532 ' O ' HD12 ' A' ' 66' ' ' LEU . 12.0 mtmt -42.41 -67.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.876 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.22 -59.72 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 71.25 110.953 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -49.71 -71.85 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.722 . . . . 74.24 112.449 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLY . 33.4 t -37.25 -61.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 64.03 110.871 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.764 ' CD2' HD23 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -41.42 -53.8 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.891 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -57.91 -47.69 82.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 75.02 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.404 HD13 ' CD1' ' A' ' 14' ' ' LEU . 73.8 mt -56.41 -54.19 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 71.23 111.134 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.1 mt -56.29 -38.49 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.53 111.157 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.552 ' HA ' HD11 ' A' ' 136' ' ' LEU . 4.6 t70 -57.51 -54.84 42.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 74.04 110.853 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.66 -64.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.843 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.423 ' HA ' HG23 ' A' ' 33' ' ' THR . 47.3 mt -51.67 -44.65 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 75.01 111.134 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.47 -59.71 8.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 63.4 112.559 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' HG2' HD22 ' A' ' 136' ' ' LEU . 2.7 mtm105 -51.96 -53.8 37.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 74.4 110.842 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.712 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -55.09 -63.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 61.31 111.118 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.616 ' O ' HG22 ' A' ' 80' ' ' THR . 2.4 m-30 -48.64 -44.16 37.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 71.23 110.929 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.556 HD22 ' O ' ' A' ' 136' ' ' LEU . 15.7 tp -54.24 -58.55 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 60.35 110.928 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -39.72 67.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 62.45 110.846 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.478 ' HG3' HD23 ' A' ' 37' ' ' LEU . 18.5 mm-40 -55.96 -73.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.41 110.916 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.744 HG21 HD12 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -55.41 -35.98 65.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 70.11 111.137 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.75 -48.0 73.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 62.44 110.88 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.0 t -54.73 -35.31 63.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.848 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -179.42 152.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 72.31 110.913 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 t 64.04 106.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.903 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -148.64 51.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.924 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.77 172.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.31 110.888 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 p -137.6 132.62 33.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 70.5 110.858 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 t -165.12 -178.48 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 52.13 110.885 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -88.35 -67.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 75.4 110.908 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -64.35 159.04 61.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.554 0.692 . . . . 74.53 110.95 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.3 Cg_endo -69.8 169.57 18.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 61.3 112.312 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.52 -49.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 43.34 112.508 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.582 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -153.76 -175.21 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 70.55 111.104 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.3 p -40.59 -52.05 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 65.32 110.867 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.46 -68.0 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.34 111.043 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 3.3 m-70 -50.44 -39.91 48.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 72.34 110.825 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.59 -52.17 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 61.43 111.141 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.744 HD12 HG21 ' A' ' 80' ' ' THR . 39.6 mt -56.33 -58.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.4 111.153 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.52 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 71.25 110.857 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.6 m -56.62 -54.19 48.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 61.14 111.142 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.788 HD11 HD12 ' A' ' 47' ' ' ILE . 30.8 mt -55.16 -53.95 49.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.41 110.89 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.76 -14.98 24.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 73.01 112.468 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.556 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -89.91 -10.0 46.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 65.34 110.904 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.556 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.1 m -122.5 -19.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 73.03 111.148 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.753 HG13 HD12 ' A' ' 109' ' ' LEU . 1.6 tp -50.82 -31.42 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.54 111.147 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.441 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -48.29 -70.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.927 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.55 -37.71 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.835 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.64 -74.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 62.5 110.919 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.972 HD13 HD12 ' A' ' 145' ' ' ILE . 0.3 OUTLIER -51.81 -60.29 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.939 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' LEU . 88.6 p -37.64 -63.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.836 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -52.47 -46.57 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 71.31 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.466 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.64 -60.85 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 44.11 111.051 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.2 mt -51.08 -47.34 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 61.53 111.112 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.45 -69.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 71.53 111.147 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -53.97 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 61.54 110.901 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.498 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 96.2 p -43.32 143.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.34 110.889 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -91.27 -174.94 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 61.04 110.88 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.537 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 20.0 tt0 -43.18 -54.03 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 65.24 110.932 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.51 -65.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 53.01 110.871 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.498 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 1.6 m-70 -48.61 -61.08 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 55.32 110.873 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -47.96 -35.28 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 71.32 110.864 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -60.19 -54.63 43.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 55.34 110.891 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -51.22 -48.6 62.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 72.51 110.868 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.683 HG12 HD13 ' A' ' 66' ' ' LEU . 73.0 mt -56.77 -51.12 71.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 72.33 111.122 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -49.37 -53.29 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 62.51 110.842 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.07 -46.2 75.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 54.14 110.835 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.764 HD23 ' CD2' ' A' ' 66' ' ' LEU . 19.4 tp -55.27 -46.77 76.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 1.043 HD11 HG21 ' A' ' 145' ' ' ILE . 11.6 mt -56.15 -49.29 74.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 70.34 110.878 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -52.49 -50.45 62.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 63.52 110.856 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.453 HG21 ' HA ' ' B' 1010 ' ' TYR . 68.2 mt -57.28 -42.04 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 71.14 111.106 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.458 ' HE1' HD11 ' A' ' 127' ' ' LEU . 45.2 m0 -55.1 -56.36 20.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 71.24 110.903 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.27 -55.51 30.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.893 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -72.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.0 m -56.11 -76.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 63.05 110.884 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 147.22 129.62 1.97 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.791 -0.718 . . . . 74.11 112.49 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.556 ' O ' HD22 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -126.25 -172.17 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 71.41 110.904 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.715 ' HB2' HG23 ' A' ' 98' ' ' ILE . 45.1 p90 -48.57 -32.84 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.858 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.494 ' HB3' HD12 ' A' ' 142' ' ' LEU . 0.1 OUTLIER -58.42 109.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 72.52 110.934 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -50.11 -30.58 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.916 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.1 m -145.7 -50.21 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 71.03 110.869 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.668 ' C ' HD13 ' A' ' 142' ' ' LEU . 10.8 p90 178.15 -176.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 73.31 110.918 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -141.8 127.5 19.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 63.01 110.921 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 9.1 t30 -56.43 -21.53 25.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.927 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -42.49 -94.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 75.22 111.052 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 1.043 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.07 -24.3 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.23 111.084 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.441 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 2.0 ttm180 -43.95 -52.67 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.864 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.5 t -55.51 100.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 52.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -28.86 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 74.13 110.944 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.5 m -49.73 -29.51 7.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 60.23 110.874 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.617 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 3.9 m-85 -57.89 -95.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.852 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 1.042 ' HA ' HD22 ' A' ' 154' ' ' LEU . . . -39.58 -38.43 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.4 111.075 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.458 ' O ' ' HG2' ' A' ' 155' ' ' GLU . 22.7 mtp -60.87 -70.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 70.45 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -65.63 -53.66 38.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 72.31 110.857 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.042 HD22 ' HA ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -44.01 -30.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.896 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.935 ' N ' HD23 ' A' ' 154' ' ' LEU . 3.9 pt-20 -97.0 -31.93 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.905 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -68.37 -18.89 64.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 72.21 110.856 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 39.19 42.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 63.43 110.85 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -69.25 87.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.852 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -72.67 139.33 47.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 65.24 110.823 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -123.65 143.29 50.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.814 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 9.0 t60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 72.42 110.863 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.757 0.313 . . . . 74.42 110.898 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -78.02 136.57 37.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.819 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 63.36 163.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 64.41 110.871 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -62.1 118.32 7.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 70.14 110.857 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -121.6 137.64 54.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.871 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 124.92 56.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 53.43 112.497 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 81.3 t80 -54.12 129.01 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 74.23 110.887 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1008 ' ' ASN . . . . . 0.426 ' HA ' ' HD2' ' B' 1009 ' ' PRO . 15.8 t-20 -104.46 98.26 14.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 70.04 110.868 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1009 ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' B' 1008 ' ' ASN . 53.7 Cg_endo -69.82 -17.82 37.1 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 61.21 112.341 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1010 ' ' TYR . . . . . 0.453 ' HA ' HG21 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -70.86 -31.83 68.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.885 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 16.2 p -147.12 127.14 13.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 65.11 111.111 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 3.1 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 71.03 110.87 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.718 0.294 . . . . 73.01 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -144.84 174.95 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.892 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -52.82 -43.48 66.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.949 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.25 145.92 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.9 t0 64.98 59.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 33.13 110.869 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.49 -164.15 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 65.51 110.839 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -46.45 -29.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.87 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -50.23 -56.81 9.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 72.24 110.965 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -53.21 -51.82 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 62.2 110.84 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.813 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 36.1 t80 -55.85 -69.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.884 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.88 -44.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 72.35 111.111 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.8 -49.35 68.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.35 111.079 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.584 HG21 ' O ' ' A' ' 28' ' ' ARG . 32.3 m -57.39 -52.69 64.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 75.13 111.146 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 53' ' ' TYR . 8.1 tp -55.89 -56.65 18.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.923 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.61 -57.63 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.865 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 t -56.48 -29.89 62.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 52.43 110.855 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.52 ' HD1' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -56.9 -62.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 65.33 110.85 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -56.18 -34.44 66.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.925 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -55.81 -22.03 22.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 74.22 110.844 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD12 ' HD1' ' A' ' 17' ' ' PHE . 52.1 mt -65.73 157.93 28.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.929 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 57.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.31 110.892 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t 70.25 38.98 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 61.14 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.92 -40.92 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 61.44 112.511 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 24' ' ' ILE . 10.5 mt 51.17 74.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 72.32 111.149 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.4 m -90.26 126.54 35.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 42.14 110.857 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.04 -26.68 49.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 74.23 112.545 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -49.33 -57.81 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 73.04 110.847 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.584 ' O ' HG21 ' A' ' 13' ' ' THR . 10.8 mpt_? -49.37 -53.91 20.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.869 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.8 mt -50.91 -45.2 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 62.1 111.132 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.645 ' O ' HG22 ' A' ' 34' ' ' THR . 11.4 mttt -55.35 -54.55 42.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.878 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.97 -50.13 61.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 71.24 110.901 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD23 ' CD1' ' A' ' 10' ' ' PHE . 11.5 mt -57.93 -52.06 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.915 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 72' ' ' ILE . 3.2 m -57.02 -71.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.168 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.3 t -42.04 -43.72 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 75.44 111.156 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' N ' HG23 ' A' ' 34' ' ' THR . 19.9 t80 -58.07 -57.15 14.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.901 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.549 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -50.07 -51.16 44.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 63.44 111.076 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.557 ' HA ' HD11 ' A' ' 40' ' ' ILE . 4.1 mm? -55.18 -48.83 73.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 71.23 110.884 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -56.9 -30.61 64.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.841 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.697 ' HB3' HD11 ' A' ' 42' ' ' ILE . 6.0 t-160 -128.74 86.14 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.885 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.557 HD11 ' HA ' ' A' ' 37' ' ' LEU . 25.4 mm -80.77 1.88 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 73.44 111.147 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -90.23 14.66 12.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 54.34 110.869 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 39' ' ' HIS . 2.9 pt -139.95 31.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 62.13 111.155 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.649 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.2 pp20? -58.58 -36.61 74.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.14 110.845 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -58.38 -73.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.1 110.878 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' CD ' ' H ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -47.13 -47.92 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 71.13 110.899 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.813 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 67.5 mt -55.95 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 71.32 111.152 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.686 HD12 HD11 ' A' ' 101' ' ' LEU . 33.8 mm -47.44 -49.57 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 73.02 111.086 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 m -57.05 -42.79 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.86 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.462 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.3 tp -57.54 -67.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.35 110.881 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.53 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.7 pt -46.94 -45.92 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 63.13 111.085 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.506 HD12 HG22 ' A' ' 47' ' ' ILE . 78.5 mt -55.79 -62.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.156 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -51.69 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.863 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CB ' HD21 ' A' ' 14' ' ' LEU . 4.1 t80 -49.82 -38.34 34.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 71.2 110.901 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.623 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 4.6 p -63.58 -75.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 41.34 110.873 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.623 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -42.04 -35.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 72.34 110.829 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.17 -75.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.943 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.51 151.85 1.83 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 50.33 110.92 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -153.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.713 2.275 . . . . 71.22 112.36 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 14.6 t70 -39.4 -45.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 71.34 110.84 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -44.19 -41.84 6.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 55.41 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -59.07 -47.89 83.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 65.54 110.881 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.532 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 40.6 mttm -44.08 -69.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 63.31 110.904 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 9.8 tp -63.33 -57.59 9.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 71.32 110.947 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -51.72 -75.54 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 42.12 112.5 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' GLY . 3.5 p -38.12 -48.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 62.1 110.867 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.452 HD21 ' HG ' ' A' ' 109' ' ' LEU . 6.8 mt -45.95 -55.44 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.933 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.529 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 14.4 m-85 -57.61 -44.47 85.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.922 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.52 HD11 ' CD2' ' A' ' 17' ' ' PHE . 81.5 mt -56.83 -57.61 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 73.35 111.133 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.9 mt -55.73 -36.34 42.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 74.03 111.154 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.13 -54.41 47.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 50.2 110.853 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.8 m -55.38 -59.86 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.864 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.434 ' HA ' HG23 ' A' ' 33' ' ' THR . 49.8 mt -54.45 -51.03 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 65.12 111.133 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.51 ' C ' HD11 ' A' ' 136' ' ' LEU . . . -54.34 -54.0 34.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 60.31 112.489 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -58.82 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 64.04 110.843 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -55.33 -53.25 58.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 51.44 111.104 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.549 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.3 m-30 -52.09 -49.93 62.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.894 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -60.67 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 74.41 110.919 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.1 -41.09 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.887 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.472 ' HG3' HD12 ' A' ' 37' ' ' LEU . 9.3 mm-40 -55.81 -72.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.896 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.7 t -54.68 -43.27 72.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 71.15 111.164 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.84 -37.06 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 44.43 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -51.81 -30.94 25.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.52 110.812 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -114.63 -75.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 70.13 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -171.98 140.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 71.2 110.883 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -94.68 85.52 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.892 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -101.77 131.47 48.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.916 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -174.95 130.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 73.35 110.865 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -117.04 -50.37 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 64.45 110.845 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -157.18 152.89 26.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 74.44 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp 64.6 153.89 0.12 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.602 0.715 . . . . 72.32 110.868 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 171.82 13.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.718 2.279 . . . . 65.22 112.313 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.86 -44.87 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 74.31 112.495 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -156.37 -173.72 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 72.24 111.114 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 80.1 m -45.2 -44.4 10.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.04 110.867 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.03 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 55.15 111.107 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -52.75 -34.97 55.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 65.42 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.37 -58.13 9.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 52.3 111.098 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 94' ' ' CYS . 3.6 mt -56.37 -47.52 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.52 111.129 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -56.52 -54.2 48.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 50.25 110.923 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.3 m -53.47 -49.04 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.14 111.126 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.686 HD11 HD12 ' A' ' 47' ' ' ILE . 25.7 mt -53.32 -56.37 17.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.912 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.57 -15.14 24.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 75.34 112.519 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.564 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -86.41 -15.51 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 61.41 110.876 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.564 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -119.11 -21.92 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 60.41 111.117 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.825 HG21 HD21 ' A' ' 142' ' ' LEU . 1.6 tp -49.91 -30.25 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 70.51 111.141 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.41 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -45.29 -69.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.898 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.93 -39.91 72.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 41.13 110.928 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.502 HD22 ' OG ' ' A' ' 54' ' ' SER . 43.7 mt -56.38 -71.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.923 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.78 HD12 ' CG1' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -55.42 -62.84 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 65.15 110.917 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 109' ' ' LEU . 97.0 p -34.58 -60.55 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.855 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -55.26 -52.79 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.11 110.877 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.428 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -48.41 -57.19 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 50.01 111.107 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.507 HG12 HG21 ' A' ' 124' ' ' ILE . 2.1 mt -54.78 -48.04 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.169 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.46 ' HB3' ' HE2' ' A' ' 115' ' ' LYS . . . -57.13 -68.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.078 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.46 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -51.55 -52.74 44.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.919 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 97.0 p -47.0 144.32 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 53.41 110.842 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 118' ' ' GLN . 1.0 OUTLIER -99.24 -178.09 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 73.54 110.901 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 30.1 tt0 -34.77 -55.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 33.25 110.912 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.22 -73.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.477 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 26.3 m170 -45.7 -58.64 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.848 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.583 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.58 -38.06 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.873 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.25 -45.62 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.871 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -57.27 -48.66 78.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 73.42 110.934 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.507 HG21 HG12 ' A' ' 113' ' ' ILE . 58.7 mt -58.24 -51.61 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.34 111.113 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -49.37 -53.99 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.866 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.78 -48.35 72.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.869 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.734 HD12 ' HG3' ' B' 1009 ' ' PRO . 12.5 tp -51.96 -47.0 64.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 55.42 110.94 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.623 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.3 OUTLIER -57.2 -49.33 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.931 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -50.83 -54.39 24.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 63.23 110.888 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.502 HD13 ' HG2' ' B' 1009 ' ' PRO . 8.1 mt -58.07 -40.63 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 62.42 111.132 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.531 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 31.0 m0 -51.16 -61.46 2.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.906 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -55.78 -47.68 76.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 54.5 110.889 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -55.72 -68.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 61.25 110.902 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.5 t -55.32 -77.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.3 110.833 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 174.5 104.13 0.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 71.54 112.498 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.51 HD11 ' C ' ' A' ' 73' ' ' GLY . 4.0 tp -179.95 114.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.819 0.342 . . . . 71.03 110.925 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 50.77 28.82 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 75.52 110.895 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -170.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 71.24 110.96 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.11 24.51 10.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.32 110.904 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.81 44.4 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.84 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -93.6 -12.24 29.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.91 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.825 HD21 HG21 ' A' ' 105' ' ' ILE . 1.8 mt -77.79 61.52 2.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 65.23 110.902 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.414 ' CA ' ' HB3' ' A' ' 146' ' ' ARG . 6.9 m120 -37.73 -40.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.856 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . -41.14 -91.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 62.54 111.099 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.741 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.81 -23.3 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.15 111.134 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.414 ' HB3' ' CA ' ' A' ' 143' ' ' ASN . 3.4 ttt180 -39.65 -53.27 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.91 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.7 t -63.75 105.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 65.54 110.895 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -46.9 -28.13 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 71.5 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 94.9 m -47.86 -30.13 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 55.35 110.862 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.594 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 5.5 m-85 -57.61 -95.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.877 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 1.057 ' HA ' HD22 ' A' ' 154' ' ' LEU . . . -40.15 -37.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 71.41 111.127 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.401 ' O ' ' HG3' ' A' ' 155' ' ' GLU . 36.7 mtp -60.87 -70.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.85 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.13 -50.49 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 74.1 110.896 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.057 HD22 ' HA ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -47.15 -28.18 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 43.33 110.89 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.924 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -90.6 28.65 1.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.866 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -30.83 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 71.23 110.887 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -64.1 -176.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 75.11 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -64.15 159.56 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.1 110.911 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -163.09 135.86 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 74.35 110.87 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -100.83 -56.1 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 72.54 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 25.5 t60 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 72.1 110.868 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.797 0.332 . . . . 73.35 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -145.62 47.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 65.41 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -121.68 174.77 6.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 65.22 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -98.8 91.59 5.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.926 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -89.9 143.42 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 71.41 110.842 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 87.28 105.28 0.86 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 54.03 112.503 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.44 141.66 35.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.391 . . . . 50.44 110.874 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 15.0 p30 -127.42 151.61 75.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.644 0.735 . . . . 71.53 110.855 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1009 ' ' PRO . . . . . 0.734 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.6 Cg_endo -69.72 -9.6 26.53 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 73.43 112.348 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -14.15 62.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 64.53 110.96 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 9.6 p -138.97 121.93 16.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 61.23 111.13 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.937 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.778 0.323 . . . . 73.22 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -110.58 -73.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 72.2 110.929 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -114.31 -22.69 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.15 110.927 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.11 -26.42 38.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 65.05 110.842 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -138.24 63.63 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.88 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -91.92 -164.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.21 110.896 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -48.34 -26.41 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.844 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -48.41 -58.45 4.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.955 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -52.64 -50.44 63.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 70.1 110.927 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.79 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 40.7 t80 -55.7 -70.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 65.35 110.871 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -47.63 -46.01 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.14 111.089 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.463 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.26 -47.23 69.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.061 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.522 HG21 ' O ' ' A' ' 28' ' ' ARG . 11.7 m -58.0 -54.56 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 72.42 111.116 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.8 tp -55.86 -51.46 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.949 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.09 -54.09 17.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.909 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 t -56.98 -32.18 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 71.22 110.874 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.93 -61.19 2.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 6.0 pttt -55.67 -32.51 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.895 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -55.31 -23.17 22.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.915 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 25' ' ' SER . 31.3 mt -54.65 176.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 64.51 110.873 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 22' ' ' SER . 0.9 OUTLIER -93.71 34.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 34.52 110.926 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 1.2 p 85.69 32.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.873 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -112.97 -123.79 4.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.69 -0.767 . . . . 62.31 112.478 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.409 HD12 ' O ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -169.18 141.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 70.03 111.133 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.597 ' HB2' HD11 ' A' ' 20' ' ' LEU . 1.5 t -119.63 110.44 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.876 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.61 -51.98 53.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 53.24 112.497 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.6 t -48.61 -43.61 36.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 61.42 110.859 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' HG21 ' A' ' 13' ' ' THR . 9.3 mpt_? -54.64 -58.95 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 63.31 110.896 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.503 ' HA ' HD12 ' A' ' 32' ' ' LEU . 47.0 mt -50.03 -42.96 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 64.32 111.14 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.61 ' O ' HG22 ' A' ' 34' ' ' THR . 25.8 mtpt -56.3 -57.64 11.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 62.12 110.95 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -50.08 -50.54 47.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.911 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 29' ' ' ILE . 4.1 mt -56.05 -51.42 67.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.51 110.91 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.437 HG23 ' HA ' ' A' ' 72' ' ' ILE . 5.2 m -57.37 -71.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 70.33 111.166 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.3 t -43.8 -44.35 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 64.31 111.132 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.475 ' N ' HG23 ' A' ' 34' ' ' THR . 22.2 t80 -56.6 -57.63 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.919 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.613 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.77 -52.51 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 72.2 111.119 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HA ' HD11 ' A' ' 40' ' ' ILE . 3.7 mm? -57.6 -50.91 71.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.95 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -56.68 -28.64 61.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 62.25 110.876 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.626 ' CB ' HD11 ' A' ' 42' ' ' ILE . 75.0 m-70 -127.29 83.92 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.885 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 40' ' ' ILE . 19.2 mm -79.8 0.4 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 75.41 111.106 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -92.17 21.88 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.895 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.4 pt -148.3 27.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.144 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.696 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -57.72 -34.43 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 61.54 110.903 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -58.67 -72.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 61.5 110.885 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.3 -45.58 45.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.01 110.913 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.79 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 57.0 mt -57.07 -69.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 75.44 111.123 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.783 HD12 HD11 ' A' ' 101' ' ' LEU . 37.3 mm -49.33 -46.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 75.3 111.112 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 m -57.93 -43.48 86.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 75.31 110.872 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.523 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.6 tp -57.72 -66.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.505 . . . . 63.4 110.899 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.5 pt -45.46 -47.0 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.52 111.112 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.516 HD13 HG21 ' A' ' 104' ' ' VAL . 73.9 mt -55.51 -56.64 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 65.11 111.182 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.33 -46.84 79.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 65.32 110.851 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.752 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.6 t80 -53.53 -35.81 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.55 110.938 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 t -62.01 -74.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 74.24 110.883 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -24.61 58.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 73.52 110.864 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 53' ' ' TYR . 3.8 mt -42.96 -80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 64.35 110.911 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.692 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -88.97 170.59 10.65 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.716 . . . . 75.44 110.887 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.84 -159.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 75.34 112.28 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -30.46 -51.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.835 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 59' ' ' ASP . 58.5 m -32.62 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.848 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.692 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 11.1 m170 -59.61 -47.83 84.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 73.13 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.686 ' HZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.3 mtmp? -31.8 -68.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.894 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.53 -51.78 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 70.54 110.925 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.45 -59.76 7.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 72.01 112.494 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -54.66 14.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 70.11 110.844 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.537 HD12 HG12 ' A' ' 124' ' ' ILE . 1.1 mt -43.33 -51.93 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 73.43 110.903 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -57.12 -50.11 73.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 14' ' ' LEU . 40.6 mt -57.24 -54.59 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 74.12 111.139 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.5 mt -55.81 -36.66 44.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 51.14 111.096 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -54.89 41.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.892 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -56.82 -59.44 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 72.51 110.877 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.437 ' HA ' HG23 ' A' ' 33' ' ' THR . 61.9 mt -53.62 -47.36 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 71.11 111.156 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.65 -56.81 18.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 71.51 112.457 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.415 HH12 HD13 ' B' 1012 ' ' LEU . 0.8 OUTLIER -50.2 -56.88 9.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 73.11 110.897 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.423 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -54.96 -50.87 67.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.094 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.658 ' O ' HG22 ' A' ' 80' ' ' THR . 2.4 m-30 -55.41 -47.1 76.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.893 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 136' ' ' LEU . 12.6 tp -53.44 -52.95 57.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 65.24 110.901 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -43.38 77.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.839 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -56.05 -71.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 63.03 110.869 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.698 HG21 HD12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -53.99 -35.84 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 41.1 111.163 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -49.8 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 52.33 110.871 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -24.13 29.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 73.51 110.825 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -119.1 -165.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 71.44 110.847 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -87.48 105.02 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.872 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -59.12 -40.06 84.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 51.44 110.875 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.1 m -52.02 139.8 21.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 63.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.3 t -163.32 -75.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.875 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.0 p -177.51 -175.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 51.25 110.832 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.84 177.04 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 74.51 110.828 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? 62.82 161.07 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.609 0.719 . . . . 75.51 110.863 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.433 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.7 Cg_endo -69.77 162.61 41.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.667 2.245 . . . . 73.2 112.337 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.38 -42.2 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 73.02 112.461 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.503 HG22 HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -152.76 -175.49 5.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.328 . . . . 74.41 111.157 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.6 p -45.31 -50.91 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 72.24 110.899 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.54 -66.77 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.135 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 40.8 m170 -52.24 -37.45 55.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.853 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.02 -58.69 6.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 63.14 111.104 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.698 HD12 HG21 ' A' ' 80' ' ' THR . 82.9 mt -53.39 -44.08 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.109 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -55.27 -50.81 68.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.893 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.0 m -56.24 -54.05 49.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.31 111.141 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.783 HD11 HD12 ' A' ' 47' ' ' ILE . 45.7 mt -51.13 -57.08 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.15 110.926 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.58 -15.52 25.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 64.44 112.467 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -91.68 -10.9 38.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 72.51 110.903 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.574 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.8 m -121.27 -15.51 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 74.44 111.168 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.833 HG13 HD12 ' A' ' 109' ' ' LEU . 3.4 tp -50.26 -29.79 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.31 111.116 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.4 110.917 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -56.44 -39.75 73.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 63.42 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.2 mt -56.83 -71.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 74.14 110.924 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.833 HD12 HG13 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -51.66 -64.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 34.03 110.938 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 109' ' ' LEU . 96.2 p -38.05 -62.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.45 110.851 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.45 -43.31 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 70.13 110.909 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.508 ' HA ' ' HD2' ' A' ' 62' ' ' LYS . . . -57.09 -60.04 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 60.51 111.073 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.678 HG22 ' CD1' ' A' ' 154' ' ' LEU . 0.9 OUTLIER -56.27 -40.09 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.4 111.162 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.66 -70.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.02 111.123 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HB3' ' CE ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -54.31 -47.93 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 72.42 110.923 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 89.6 p -49.08 141.04 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 54.35 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 121' ' ' LYS . 3.1 p30 -90.36 -173.86 3.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 65.44 110.917 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.624 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 4.7 mt-30 -43.49 -52.74 5.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.931 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.53 -67.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 52.32 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.476 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 12.0 m170 -47.88 -59.31 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.816 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.41 -39.15 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.907 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.47 -44.52 96.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.907 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -58.35 -50.18 74.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 71.43 110.851 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.537 HG12 HD12 ' A' ' 66' ' ' LEU . 37.0 mt -56.83 -49.19 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 70.31 111.109 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -54.22 27.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.909 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.47 -49.33 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.855 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.545 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 50.2 tp -52.28 -46.87 66.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.868 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.426 HD11 HG13 ' A' ' 145' ' ' ILE . 1.1 tt -56.25 -48.65 76.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.03 110.956 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -52.91 -49.28 66.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.866 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.06 -42.14 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.121 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.56 ' CG ' HD23 ' A' ' 136' ' ' LEU . 42.5 m0 -54.17 -58.37 7.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 73.4 110.919 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.75 -53.03 61.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 70.34 110.855 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -55.24 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.879 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.4 t -55.37 -75.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 63.3 110.898 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 151.76 121.98 0.97 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.736 -0.745 . . . . 41.44 112.514 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.56 HD23 ' CG ' ' A' ' 131' ' ' TRP . 4.4 tp -165.02 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 71.44 110.938 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.524 ' CE2' HD13 ' A' ' 105' ' ' ILE . 25.4 m-85 -105.93 178.11 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.834 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.56 ' HB2' HD12 ' A' ' 142' ' ' LEU . 3.8 mp0 -51.08 126.24 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 71.41 110.928 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -64.89 87.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.2 110.892 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 73.4 m 53.24 26.27 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.896 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.504 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.2 OUTLIER -98.49 23.02 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 73.11 110.916 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.811 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -126.64 125.92 42.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 74.32 110.91 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.448 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 8.9 m120 -55.92 -21.51 20.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.888 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -42.01 -96.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.33 111.087 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.602 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.89 -21.52 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.43 111.065 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.448 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 2.3 ttt180 -45.1 -51.54 10.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.835 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 81.8 p -60.67 98.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.886 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -46.54 -34.03 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 60.44 110.884 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.1 p -45.69 -30.91 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 75.42 110.881 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -55.5 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 72.42 110.849 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.494 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -48.12 -47.03 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 62.52 111.102 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 0.4 OUTLIER -51.08 -52.38 44.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 71.04 110.91 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -62.58 -66.97 0.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 74.34 110.877 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.678 ' CD1' HG22 ' A' ' 113' ' ' ILE . 1.3 pp -49.78 -29.45 7.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 72.32 110.917 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.3 OUTLIER -57.33 -174.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.902 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -157.85 176.48 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.854 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -52.11 108.33 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.835 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.04 172.85 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 65.01 110.862 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -129.47 153.48 47.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 60.01 110.835 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -137.97 157.98 45.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.84 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 74.03 110.903 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.8 0.333 . . . . 72.34 110.868 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.35 99.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 71.3 110.902 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 12.1 t70 -171.45 149.58 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.891 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.52 111.54 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 70.12 110.88 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -130.64 -178.73 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.875 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 105.26 124.29 5.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 71.25 112.531 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 46.8 t80 -155.88 118.89 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.91 0.386 . . . . 72.01 110.941 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -102.53 136.94 19.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 74.21 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.44 25.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.672 2.248 . . . . 71.2 112.342 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -9.39 58.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 73.24 110.886 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 8.5 p -129.17 131.22 47.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 64.54 111.141 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.415 HD13 HH12 ' A' ' 74' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.51 110.941 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.698 0.285 . . . . 71.42 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -140.46 38.24 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 70.14 110.919 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -127.16 -37.94 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.944 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -68.03 -24.13 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 65.51 110.88 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -112.96 29.88 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 71.23 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.48 -164.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.846 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -49.61 -27.07 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.859 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -50.1 -56.58 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.906 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -54.13 -50.27 67.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.894 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.73 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 38.7 t80 -55.49 -69.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 64.4 110.863 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -49.66 -44.33 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 62.42 111.151 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.92 -50.12 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.23 111.12 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.519 HG21 ' O ' ' A' ' 28' ' ' ARG . 94.7 m -57.15 -52.79 63.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.137 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD23 ' HG ' ' A' ' 49' ' ' LEU . 12.5 tp -56.6 -54.31 47.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 70.11 110.899 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.61 -60.72 2.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 74.02 110.892 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.2 t -55.25 -30.72 60.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.03 110.885 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 64.5 110.88 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -55.51 -36.13 66.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 62.31 110.93 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.52 -27.45 57.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.862 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.4 mt -63.5 143.46 57.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 44.04 110.911 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 61.26 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.914 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.67 46.25 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 54.33 110.888 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.22 -48.57 2.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 71.23 112.477 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.7 mt 58.14 77.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 71.13 111.157 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.17 127.87 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 70.01 110.877 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.56 -36.39 64.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 70.21 112.496 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.82 -52.41 41.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 65.34 110.841 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.519 ' O ' HG21 ' A' ' 13' ' ' THR . 9.4 mpt_? -51.4 -60.23 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.931 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.548 ' HA ' HD12 ' A' ' 32' ' ' LEU . 65.0 mt -48.28 -44.5 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 63.3 111.14 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.658 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.95 -55.07 37.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 64.45 110.889 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -50.51 -48.69 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 62.33 110.919 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 29' ' ' ILE . 6.5 mt -56.99 -51.84 67.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 74.21 110.91 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.7 m -57.81 -71.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.161 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.3 t -41.5 -45.03 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 74.53 111.181 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' N ' HG23 ' A' ' 34' ' ' THR . 13.3 t80 -56.69 -57.16 13.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.946 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.3 -51.47 44.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 73.54 111.127 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.508 ' HA ' HD11 ' A' ' 40' ' ' ILE . 3.9 mm? -57.21 -49.58 75.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.911 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -57.1 -26.73 60.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 62.1 110.84 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.708 ' HB2' HD11 ' A' ' 42' ' ' ILE . 31.9 m170 -129.99 85.06 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.808 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.599 HG22 HG22 ' A' ' 93' ' ' THR . 33.4 mm -80.27 -1.01 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 64.12 111.172 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -90.96 21.94 3.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.861 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.708 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.9 pt -147.26 31.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 65.3 111.143 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.635 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -58.07 -35.55 71.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.892 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -58.68 -72.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 63.4 110.878 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.99 -47.56 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 70.23 110.903 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.73 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 89.3 mt -55.83 -69.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.1 111.104 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 101' ' ' LEU . 36.2 mm -47.98 -48.96 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.02 111.141 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.4 m -56.69 -42.47 79.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.873 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD23 ' CE2' ' A' ' 10' ' ' PHE . 14.7 tp -58.27 -66.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.534 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.6 pt -47.14 -44.31 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 65.23 111.084 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.409 HG12 HG21 ' A' ' 104' ' ' VAL . 44.7 mt -55.69 -59.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 72.03 111.082 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -58.55 -49.11 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.86 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.504 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -50.66 -41.86 55.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.934 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 60.6 p -62.53 -73.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 74.22 110.901 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.478 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -43.25 -33.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 70.43 110.887 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 53' ' ' TYR . 35.1 mt -61.17 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 65.25 110.956 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.568 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -50.09 141.72 14.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.627 0.727 . . . . 73.24 110.896 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -100.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 72.22 112.337 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.476 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 3.1 p-10 -69.84 -54.16 14.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 71.53 110.919 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -38.34 -49.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 65.24 110.9 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.568 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -55.58 -53.55 55.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.45 110.807 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.554 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 9.1 mtmm -35.88 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.874 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.569 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 10.0 tp -63.81 -58.34 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 72.33 110.962 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.7 -77.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 74.01 112.533 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' GLY . 0.7 OUTLIER -36.86 -51.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 50.33 110.84 -179.771 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 62' ' ' LYS . 7.8 mt -45.84 -57.33 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.908 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.569 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 12.1 m-30 -57.04 -42.21 80.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.99 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -55.93 -57.27 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 74.14 111.101 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.35 -34.56 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 61.45 111.116 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -57.64 11.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.893 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -56.72 -62.13 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 63.11 110.864 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.5 mt -51.94 -46.54 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 62.31 111.157 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.5 -57.41 13.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 72.42 112.447 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.482 HH12 HD12 ' B' 1012 ' ' LEU . 0.6 OUTLIER -51.78 -57.36 9.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 71.01 110.837 -179.832 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.98 -57.41 11.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 70.42 111.093 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.671 ' O ' HG22 ' A' ' 80' ' ' THR . 1.9 m-85 -50.33 -49.79 52.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.92 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -51.39 -59.97 3.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 64.52 110.925 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -41.93 63.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 72.03 110.871 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.459 ' HG3' HD12 ' A' ' 37' ' ' LEU . 24.9 mm-40 -56.69 -75.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 64.5 110.852 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.2 t -51.55 -35.12 39.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 70.44 111.177 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -55.19 -52.17 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.876 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -55.89 -35.59 66.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.86 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.65 159.58 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.873 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m 64.36 96.35 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.872 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -154.66 145.33 22.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 70.4 110.875 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.46 174.75 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 61.32 110.897 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -130.33 30.75 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 70.22 110.882 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.2 p -61.86 -171.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 62.52 110.898 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -93.45 156.6 16.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 43.52 110.864 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.3 160.93 0.12 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 54.35 110.888 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.55 9.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 54.02 112.35 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.81 -46.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 41.54 112.487 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.599 HG22 HG22 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -158.96 -173.86 4.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 71.04 111.089 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.467 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 68.9 m -45.66 -40.68 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.877 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -43.27 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 60.04 111.089 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -52.83 -35.36 57.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 72.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.16 -57.99 9.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 74.32 111.104 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.538 ' CD1' HG21 ' A' ' 80' ' ' THR . 5.4 mt -56.29 -47.34 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.3 111.156 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -56.58 -55.43 33.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.2 110.899 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.1 m -51.39 -53.28 38.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 42.1 111.156 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.59 HD11 HD12 ' A' ' 47' ' ' ILE . 47.3 mt -51.01 -56.55 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.905 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.71 -15.56 26.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.69 -0.767 . . . . 72.44 112.49 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.582 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -86.78 -12.29 48.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 73.44 110.849 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.582 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -122.13 -18.94 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 65.42 111.146 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.834 HG13 HD12 ' A' ' 109' ' ' LEU . 4.0 tp -49.95 -29.73 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.522 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.35 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.909 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -56.02 -38.9 71.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.894 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.459 HD22 ' OG ' ' A' ' 54' ' ' SER . 34.9 mt -56.24 -71.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.834 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -51.95 -63.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.91 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 109' ' ' LEU . 83.8 p -36.61 -62.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 71.12 110.835 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.96 -49.46 50.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 72.44 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.533 ' HA ' ' HD2' ' A' ' 62' ' ' LYS . . . -55.63 -55.83 27.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 55.21 111.129 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.723 HG22 ' CD1' ' A' ' 154' ' ' LEU . 2.5 mt -55.6 -44.09 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 64.05 111.167 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.33 -68.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 43.53 111.092 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -55.71 -50.58 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 75.2 110.874 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.543 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 82.6 p -45.85 139.4 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.834 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -89.58 -168.68 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.877 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.562 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 8.1 tp-100 -46.98 -54.45 10.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.93 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.77 -64.25 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 70.24 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.543 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 26.7 m170 -48.92 -60.1 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.849 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -49.03 -34.63 13.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 62.21 110.915 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -53.76 54.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 61.41 110.874 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -53.59 -43.5 68.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.886 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.6 HG21 HG12 ' A' ' 113' ' ' ILE . 28.4 mt -61.68 -45.1 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 65.14 111.164 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -55.5 -59.11 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.87 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 127' ' ' LEU . 22.3 ptm -52.98 -45.18 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 72.12 110.889 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' B' 1009 ' ' PRO . 18.0 tp -54.35 -47.55 72.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 53.55 110.918 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.595 HD21 HG13 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.75 -49.29 75.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.882 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -50.21 -51.89 40.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 53.0 110.867 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 53.4 mt -57.01 -42.21 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.11 111.136 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.622 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 14.2 m0 -54.74 -55.42 30.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.25 110.941 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -54.86 -49.03 72.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.887 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -54.67 -70.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 70.43 110.872 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 43.7 t -57.07 -71.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.846 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 116.8 103.41 2.31 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 65.13 112.508 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.587 ' C ' HD23 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -144.23 13.86 1.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.869 0.366 . . . . 71.3 110.92 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.601 ' HZ ' HD13 ' A' ' 105' ' ' ILE . 2.3 m-85 -135.94 -76.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 72.43 110.83 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -133.47 148.32 51.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 64.44 110.887 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -70.25 -10.12 57.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 75.35 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 34.7 m -113.32 -79.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.815 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.612 ' C ' HD13 ' A' ' 142' ' ' LEU . 0.2 OUTLIER 176.25 -171.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.924 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.839 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -137.18 125.3 22.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 60.13 110.909 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 10.5 t-20 -54.29 -22.95 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.02 110.937 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -41.31 -95.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.1 111.106 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.811 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.74 -23.22 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.03 111.091 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.424 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 1.9 ttt180 -43.0 -51.6 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 63.03 110.872 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 t -54.09 100.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.45 110.849 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -45.86 -29.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 53.54 110.905 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 88.7 m -46.77 -33.18 4.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -54.69 -85.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 73.25 110.887 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.483 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -48.11 -55.88 9.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 53.43 111.117 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 153' ' ' ASP . 3.2 ptm -43.41 -44.57 5.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.32 110.851 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.428 ' N ' ' CG ' ' A' ' 152' ' ' MET . 12.0 t70 -71.1 -70.91 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.841 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.723 ' CD1' HG22 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -47.15 -31.68 3.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.906 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 151' ' ' ALA . 4.3 pt-20 -83.04 -31.79 27.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 73.43 110.854 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.6 109.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.54 110.847 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.2 -168.25 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 73.04 110.806 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -50.31 144.86 6.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.32 110.842 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -51.52 161.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.83 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -141.84 -169.55 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 62.34 110.863 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 45.2 110.901 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 73.41 110.861 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -99.64 -177.4 3.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 63.12 110.893 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 7.2 m-20 62.51 176.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 72.34 110.907 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -84.37 84.01 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 72.12 110.88 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.22 82.22 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 71.23 110.888 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 170.04 36.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 51.45 112.444 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.73 116.93 2.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 74.13 110.914 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -97.6 137.31 21.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 64.25 110.857 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1009 ' ' PRO . . . . . 0.431 ' HG3' HD13 ' A' ' 127' ' ' LEU . 54.1 Cg_endo -69.76 -23.24 31.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 75.45 112.347 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -16.86 61.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 61.2 110.906 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 19.1 p -137.19 116.3 12.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 75.34 111.193 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.482 HD12 HH12 ' A' ' 74' ' ' ARG . 6.7 tt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 64.44 110.891 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.76 0.314 . . . . 63.21 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -124.45 177.31 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.924 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -61.84 -18.0 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 53.01 110.921 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -58.46 -21.73 52.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.881 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -140.18 71.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.842 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.14 -163.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.829 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -48.01 -26.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 62.33 110.857 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -50.59 -57.47 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.96 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -52.96 -51.99 59.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 60.33 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.735 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 45.6 t80 -55.25 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.907 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.84 -44.51 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 74.3 111.139 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.36 -49.52 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 51.31 111.074 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.598 HG21 ' O ' ' A' ' 28' ' ' ARG . 57.0 m -57.24 -53.84 53.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 62.03 111.141 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.7 tp -55.7 -53.63 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.903 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.07 -56.58 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 t -55.97 -30.95 62.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 72.22 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.501 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -57.59 -61.92 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 72.3 110.863 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -56.52 -36.59 69.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 45.34 110.916 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -56.38 -24.58 45.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.842 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.0 mt -69.23 141.26 54.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.914 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.75 62.27 1.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 72.43 110.883 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 65.02 50.63 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.879 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.68 -52.58 1.03 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 61.42 112.435 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.501 HG23 ' CZ ' ' A' ' 17' ' ' PHE . 4.8 mt 59.42 81.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 72.43 111.133 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.68 131.92 36.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 53.02 110.836 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.82 -34.39 61.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 61.11 112.447 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -54.11 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 54.55 110.856 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.598 ' O ' HG21 ' A' ' 13' ' ' THR . 8.8 mpt_? -50.15 -57.91 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 70.34 110.884 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.546 ' HA ' HD12 ' A' ' 32' ' ' LEU . 69.2 mt -49.81 -42.96 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.15 111.163 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 34' ' ' THR . 6.1 mmtp -56.26 -56.47 20.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 72.34 110.886 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -49.99 -48.37 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 64.54 110.946 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 29' ' ' ILE . 7.2 mt -57.69 -51.26 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.903 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.449 HG23 ' HA ' ' A' ' 72' ' ' ILE . 6.2 m -57.78 -71.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 25.44 111.123 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 30' ' ' LYS . 7.1 t -42.53 -45.78 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.45 111.155 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.468 ' N ' HG23 ' A' ' 34' ' ' THR . 20.9 t80 -58.23 -54.9 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.924 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.708 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.58 -57.67 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 75.31 111.081 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.705 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.3 mp -57.14 -48.31 79.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 70.2 110.889 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -56.27 -27.15 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 62.23 110.909 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CB ' HD11 ' A' ' 42' ' ' ILE . 87.4 m-70 -129.5 84.1 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.886 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.593 HG22 HG22 ' A' ' 93' ' ' THR . 18.3 mm -78.68 -0.71 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 52.4 111.134 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -90.62 19.72 5.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 64.22 110.897 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.604 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.7 pt -147.36 28.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 75.22 111.113 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.664 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.3 pm0 -57.54 -36.29 71.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 65.1 110.867 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.1 t -58.51 -73.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.866 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.511 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.96 -46.52 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.833 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.735 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 70.4 mt -56.33 -71.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 74.21 111.153 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.76 HD12 HD11 ' A' ' 101' ' ' LEU . 40.3 mm -47.53 -47.38 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 75.05 111.097 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 m -57.82 -42.82 85.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 65.3 110.872 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.1 tp -57.68 -67.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 71.04 110.96 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.58 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.1 pt -45.12 -46.23 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.114 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.0 mt -57.01 -57.14 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.25 111.149 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -47.86 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 55.53 110.892 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.752 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -54.93 -35.34 64.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.94 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.4 t -63.6 -74.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 42.51 110.84 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -25.78 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 61.42 110.859 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 53' ' ' TYR . 3.8 mt -42.72 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.874 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.689 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -93.31 170.24 8.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.716 . . . . 55.01 110.86 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.6 Cg_endo -69.7 -158.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 70.51 112.342 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -30.86 -52.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.87 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 59' ' ' ASP . 64.2 m -32.53 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 75.41 110.831 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.689 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.9 m80 -61.58 -37.81 85.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 75.01 110.832 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -46.02 -60.28 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.23 110.878 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.478 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 12.8 tp -58.89 -58.95 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 54.54 110.926 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.17 -60.7 5.96 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 50.34 112.483 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.7 p -48.08 -48.17 33.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 64.45 110.832 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -48.04 -53.19 17.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.955 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.478 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 12.9 m-85 -55.4 -47.11 76.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.05 110.895 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.5 ' HA ' HG23 ' A' ' 29' ' ' ILE . 59.8 mt -56.21 -50.25 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.53 111.182 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.2 mt -57.46 -39.0 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.155 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.91 -55.22 35.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.871 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.1 p -55.75 -57.46 11.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 44.33 110.895 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.449 ' HA ' HG23 ' A' ' 33' ' ' THR . 72.7 mt -55.2 -43.78 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 72.03 111.109 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.08 -58.24 14.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 70.3 112.525 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.458 ' NH1' HD13 ' B' 1012 ' ' LEU . 2.0 mtm105 -51.61 -55.59 18.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 71.45 110.868 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.705 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -55.36 -58.06 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 51.33 111.072 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.715 ' O ' HG22 ' A' ' 80' ' ' THR . 2.7 m-30 -51.19 -45.81 61.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 62.53 110.899 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.852 HD22 ' HA ' ' A' ' 136' ' ' LEU . 7.1 tp -52.08 -56.29 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 65.34 110.967 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -43.96 73.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 63.05 110.836 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG3' HD23 ' A' ' 37' ' ' LEU . 7.4 mm-40 -55.46 -73.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.899 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -52.59 -35.99 55.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 52.13 111.133 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -52.75 -51.3 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 50.45 110.913 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.6 m -55.38 -24.75 31.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.03 110.889 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -115.81 -166.04 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.9 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -87.65 100.07 12.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.865 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -55.68 100.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 75.55 110.915 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -73.96 85.91 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 61.25 110.821 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.2 t -100.37 122.29 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 50.52 110.823 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -154.74 -74.41 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 73.44 110.88 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -175.05 151.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 71.12 110.893 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 63.27 160.58 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 73.51 110.904 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.0 Cg_endo -69.73 167.52 24.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 74.0 112.336 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.553 ' O ' HG23 ' A' ' 93' ' ' THR . . . 175.09 -36.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 53.31 112.462 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -170.93 -174.01 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 72.04 111.146 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -42.34 -51.84 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 71.02 110.873 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -51.43 -61.48 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 71.11 111.109 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 54.6 m80 -53.66 -42.92 68.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.02 110.849 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -51.12 -59.12 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.142 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.696 HD12 HG21 ' A' ' 80' ' ' THR . 76.4 mt -55.11 -46.28 77.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 64.11 111.116 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -55.3 -52.14 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 62.4 110.887 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.5 m -55.19 -53.33 57.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 63.43 111.161 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.76 HD11 HD12 ' A' ' 47' ' ' ILE . 56.5 mt -52.57 -55.99 18.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.915 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.49 -15.68 25.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 73.11 112.507 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.582 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -89.82 -9.36 49.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 61.04 110.909 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.582 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.4 m -124.12 -16.5 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.21 111.104 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.797 HG13 HD12 ' A' ' 109' ' ' LEU . 4.2 tp -50.09 -29.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.431 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -53.68 -71.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.938 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -55.61 -39.03 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 53.05 110.94 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.77 -64.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.909 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.797 HD12 HG13 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -53.84 -69.86 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.925 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.3 p -36.55 -59.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -52.49 -50.71 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 70.51 110.885 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.37 -55.59 29.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.142 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.663 HG12 HG21 ' A' ' 124' ' ' ILE . 7.4 mt -54.53 -49.72 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 70.13 111.098 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.53 -67.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 70.02 111.115 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -49.59 -45.56 48.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 54.24 110.881 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.403 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 5.4 m -55.83 154.19 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 54.03 110.868 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -96.41 -171.39 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.898 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.641 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 4.5 tp-100 -46.91 -51.98 15.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.899 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.53 -67.42 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 116' ' ' SER . 2.1 m80 -47.81 -59.6 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.876 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.96 -38.32 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 63.13 110.859 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -60.99 -44.98 96.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 64.4 110.903 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -57.79 -49.2 77.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.25 110.893 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.663 HG21 HG12 ' A' ' 113' ' ' ILE . 60.7 mt -57.34 -50.02 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 73.32 111.172 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -49.57 -52.16 32.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 75.51 110.869 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.94 -51.83 66.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 65.45 110.901 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.627 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 29.3 tp -52.47 -42.77 64.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.921 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.657 HD11 HG21 ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.55 -48.96 76.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.902 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -53.99 -53.06 58.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 61.23 110.844 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.8 mt -55.5 -42.56 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.03 111.155 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.627 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 30.1 m0 -55.97 -54.06 49.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 65.31 110.918 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.48 -51.99 60.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 63.24 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -55.96 -71.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 64.52 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.1 t -57.78 -77.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 54.51 110.867 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 113.12 96.69 2.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 63.24 112.45 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.852 ' HA ' HD22 ' A' ' 77' ' ' LEU . 2.1 pt? -119.27 -22.7 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 63.35 110.881 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -122.18 -74.62 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 62.23 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -103.04 112.03 24.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 53.45 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.424 ' NZ ' HD21 ' A' ' 77' ' ' LEU . 4.4 mmtt -55.16 -25.58 33.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 63.12 110.92 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.7 m -113.12 -77.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 61.1 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 173.04 172.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 75.12 110.884 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.815 HD13 ' HB3' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -135.44 156.63 48.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 71.42 110.924 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 3.1 p-10 -55.77 -25.72 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 61.55 110.873 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.815 ' HB3' HD13 ' A' ' 142' ' ' LEU . . . -38.08 -96.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 63.22 111.136 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.657 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -69.32 -20.84 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 54.14 111.132 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.481 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 2.8 ttt180 -40.61 -51.71 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.879 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 t -65.2 90.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 64.55 110.833 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -42.04 -27.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 62.32 110.889 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 5.3 t -46.07 -28.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 64.42 110.857 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.714 ' CE1' ' HB2' ' A' ' 151' ' ' ALA . 10.0 p90 -55.63 -60.87 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.42 110.913 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.714 ' HB2' ' CE1' ' A' ' 150' ' ' PHE . . . -67.87 -51.21 50.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 32.53 111.104 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.409 ' HA ' ' HG2' ' A' ' 155' ' ' GLU . 9.8 mmt -45.79 -39.63 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 63.43 110.853 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -71.93 -69.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 75.31 110.926 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 150' ' ' PHE . 1.1 pp -50.89 -31.68 18.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 52.42 110.925 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' A' ' 152' ' ' MET . 13.1 pt-20 -80.85 -179.46 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.889 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -111.51 179.08 4.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.82 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -51.17 148.09 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 71.15 110.848 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -119.54 175.3 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.848 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -85.28 -174.39 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 64.14 110.814 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -88.43 157.22 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.25 110.862 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 58.2 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.847 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.751 0.31 . . . . 73.34 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 18.0 t0 -76.56 -63.16 1.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 61.44 110.856 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 18.9 p30 -55.5 158.25 3.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 61.01 110.827 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 125.19 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 70.22 110.873 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -117.87 -179.38 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 64.32 110.844 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 71.92 92.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 32.22 112.498 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 24.3 t80 -83.32 111.46 19.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 72.51 110.9 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -89.52 110.37 38.55 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.671 0.748 . . . . 71.24 110.917 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -21.55 33.4 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.706 2.271 . . . . 72.44 112.337 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -16.71 64.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.946 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 8.9 p -144.56 176.71 9.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 63.54 111.126 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1012 ' ' LEU . . . . . 0.458 HD13 ' NH1' ' A' ' 74' ' ' ARG . 1.3 pt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.933 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptt? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.759 0.314 . . . . 65.11 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -174.75 -174.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 50.11 110.91 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -51.99 139.82 21.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 62.41 110.902 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.23 177.37 1.46 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.861 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -116.45 28.99 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.846 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.874 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.53 -28.29 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.3 110.865 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -49.78 -56.86 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 62.35 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.17 -50.34 64.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 70.32 110.886 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.77 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 33.8 t80 -56.09 -70.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.834 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.78 -45.28 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 71.21 111.134 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.28 -48.39 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 65.41 111.111 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 28' ' ' ARG . 22.7 m -57.86 -52.86 63.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 71.31 111.145 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 11.4 tp -56.14 -55.96 26.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.972 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.67 -60.79 2.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 61.34 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 t -55.04 -30.31 59.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.867 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.916 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -54.28 -67.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.915 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -55.32 -35.07 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.871 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.0 -14.57 9.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.902 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -74.27 174.0 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 62.42 110.927 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.07 -17.77 9.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.904 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.599 ' HG ' ' N ' ' B' 1001 ' ' ASP . 4.3 m -70.5 -25.7 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 73.54 110.87 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.414 ' H ' ' HG ' ' A' ' 20' ' ' LEU . . . 87.96 -15.95 53.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 64.52 112.527 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.623 HD11 ' HG ' ' A' ' 63' ' ' LEU . 33.2 mm -148.98 146.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 70.05 111.068 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.37 107.75 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 72.2 110.872 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.02 -51.7 52.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 71.13 112.532 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.66 -52.47 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 74.53 110.833 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 13' ' ' THR . 10.4 mpt_? -53.34 -59.12 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 74.14 110.871 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 32' ' ' LEU . 63.3 mt -49.13 -43.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 51.15 111.132 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.633 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.45 -57.79 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 74.05 110.927 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -50.59 -48.42 57.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 74.12 110.89 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD23 ' CD1' ' A' ' 10' ' ' PHE . 4.5 mt -58.04 -52.6 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.924 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 72' ' ' ILE . 3.1 m -57.05 -70.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 71.22 111.148 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.3 t -43.21 -44.28 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 54.12 111.102 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.467 ' N ' HG23 ' A' ' 34' ' ' THR . 13.9 t80 -58.07 -56.42 22.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.888 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.66 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.09 -57.98 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 42.23 111.072 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.711 HD11 ' CB ' ' A' ' 75' ' ' ALA . 1.9 mp -57.69 -46.9 83.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 72.15 110.959 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.46 -28.66 60.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 55.32 110.878 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.636 ' CB ' HD11 ' A' ' 42' ' ' ILE . 34.6 m170 -129.35 83.91 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.12 110.879 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.605 HG22 HG22 ' A' ' 93' ' ' THR . 14.6 mm -77.04 -3.04 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 70.5 111.14 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -89.09 23.85 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 63.11 110.887 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.636 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.5 pt -152.8 29.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.45 111.151 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.679 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.9 OUTLIER -57.79 -35.49 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 75.15 110.896 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -58.73 -73.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 65.52 110.84 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.577 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.73 -46.17 29.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.926 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.77 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 80.5 mt -56.18 -70.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.52 111.156 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.681 HD12 HD11 ' A' ' 101' ' ' LEU . 38.5 mm -47.3 -48.16 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.117 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -57.35 -42.63 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.87 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.5 tp -57.91 -67.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.5 110.939 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.2 pt -46.5 -45.09 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.24 111.107 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.9 mt -56.14 -59.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 75.24 111.181 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -57.13 -50.4 72.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 71.4 110.899 179.827 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.792 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -51.42 -36.78 45.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.32 110.913 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.582 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 9.0 p -63.83 -73.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 52.33 110.852 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.582 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.6 ptt85 -43.56 -33.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.877 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 53' ' ' TYR . 39.8 mt -60.66 -82.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.912 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 58.3 m -50.76 141.15 18.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 72.43 110.885 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -100.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.757 2.304 . . . . 73.54 112.32 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 3.3 p-10 -68.56 -51.58 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 75.15 110.85 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 t -40.01 -48.95 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.876 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.601 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.93 -48.94 79.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.11 110.822 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.49 ' CD ' ' HA ' ' A' ' 112' ' ' ALA . 7.6 mtmp? -39.01 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.31 110.909 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 24' ' ' ILE . 9.8 tp -64.82 -50.16 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.88 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.456 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -54.61 -77.15 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.773 -0.727 . . . . 75.35 112.494 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.8 p -38.98 -52.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 70.54 110.836 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.56 HD21 ' HG ' ' A' ' 109' ' ' LEU . 13.1 mt -46.97 -53.01 13.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.14 110.924 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -57.17 -45.85 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.968 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.39 -55.19 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 73.32 111.108 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.5 mt -56.55 -36.64 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.131 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.495 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -58.0 -56.5 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.835 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -55.98 -62.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.35 110.836 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.405 ' HA ' HG23 ' A' ' 33' ' ' THR . 64.3 mt -52.57 -45.82 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 71.34 111.155 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.471 ' C ' HD13 ' A' ' 136' ' ' LEU . . . -52.91 -60.31 8.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 73.33 112.487 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.68 -54.84 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 72.5 110.891 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.711 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -54.48 -61.81 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 64.34 111.109 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.66 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.3 m-30 -49.56 -43.58 46.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.34 110.902 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 77' ' ' LEU . 2.2 tm? -54.62 -59.62 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.922 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -40.35 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.05 110.918 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.612 ' CD ' HD23 ' A' ' 37' ' ' LEU . 3.8 mm-40 -56.03 -73.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.912 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -55.04 -37.93 67.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 64.43 111.183 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -55.5 -40.89 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 52.14 110.884 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -50.53 -60.19 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 43.04 110.898 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -90.02 -76.23 0.43 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.871 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.9 t -172.83 177.67 2.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 63.04 110.856 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -126.72 127.0 44.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 70.22 110.906 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -114.86 173.41 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 71.41 110.87 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 t -177.07 152.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 63.34 110.85 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.4 m -159.65 55.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 75.45 110.84 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 m120 53.86 27.31 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 72.12 110.917 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -165.91 160.62 13.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.703 . . . . 62.42 110.925 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 171.27 14.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 72.41 112.338 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.33 -46.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 34.32 112.472 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.605 HG22 HG22 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -156.05 -176.1 5.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.43 111.095 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.551 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.7 p -45.05 -44.9 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 53.02 110.871 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.29 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.12 111.088 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -51.43 -35.11 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 61.43 110.884 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.05 -58.55 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 61.54 111.094 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 76' ' ' TYR . 4.5 mt -55.99 -46.06 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 73.14 111.127 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -56.28 -51.12 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 65.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.4 m -55.19 -52.05 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.145 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.681 HD11 HD12 ' A' ' 47' ' ' ILE . 47.8 mt -52.25 -56.26 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 53.14 110.954 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.46 -16.11 27.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 52.55 112.444 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.549 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -86.61 -12.85 47.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 63.01 110.901 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.549 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.0 m -120.94 -17.89 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.34 111.126 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.784 HG13 HD12 ' A' ' 109' ' ' LEU . 3.0 tp -48.88 -30.07 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.169 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.52 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.09 -71.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 72.22 110.935 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.61 -39.59 70.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.901 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.566 HD22 ' OG ' ' A' ' 54' ' ' SER . 41.7 mt -55.63 -72.27 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.915 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.784 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -51.22 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.15 110.922 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.3 p -37.27 -62.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.87 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -48.87 -49.42 39.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 65.2 110.849 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.49 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -56.07 -58.25 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.108 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.738 HG22 ' CD1' ' A' ' 154' ' ' LEU . 3.5 mt -52.41 -48.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 61.32 111.137 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.06 -69.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.12 111.107 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HE3' ' HE2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -55.79 -23.97 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 65.42 110.903 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 3.5 m -74.54 147.6 41.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.886 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -97.38 -171.81 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.87 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.568 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.6 pp0? -45.01 -52.65 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.956 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -62.92 -63.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.88 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 116' ' ' SER . 43.4 m170 -49.32 -61.23 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -48.11 -34.82 10.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 63.24 110.891 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -56.49 20.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.875 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -52.27 -48.96 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 62.14 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.451 HG21 HG12 ' A' ' 113' ' ' ILE . 52.0 mt -55.91 -50.75 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.126 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -50.02 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.855 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 tpp -55.8 -52.29 64.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.904 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 70' ' ' ASP . 25.9 tp -50.57 -46.11 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.917 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.595 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.3 -49.81 73.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 63.31 110.909 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -50.7 -50.63 54.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 70.32 110.851 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.6 mt -57.76 -43.99 85.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 65.04 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.631 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 9.8 m0 -52.18 -57.71 8.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 53.31 110.935 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.52 -47.89 75.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.851 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -55.15 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 65.04 110.879 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.6 t -55.64 -74.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 65.34 110.878 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 142.34 117.6 1.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 55.21 112.502 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 73' ' ' GLY . 7.7 tp -145.17 -74.5 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 74.23 110.889 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -73.15 -167.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -43.87 137.22 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 75.2 110.912 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -27.43 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.916 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.0 m -81.97 -80.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.906 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.579 ' C ' HD13 ' A' ' 142' ' ' LEU . 0.2 OUTLIER 176.86 -173.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 74.03 110.883 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.86 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -134.55 121.38 20.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 72.43 110.923 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.443 ' O ' ' O ' ' A' ' 144' ' ' ALA . 2.4 p-10 -51.98 -23.74 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 53.25 110.92 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.52 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -40.5 -96.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.03 111.124 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.763 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.8 -21.3 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 63.44 111.143 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.418 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 1.9 ttt180 -44.79 -49.33 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.9 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.5 t -58.57 96.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 72.24 110.86 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -46.77 -28.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.914 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 36.7 t -47.04 -33.41 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.53 110.908 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -56.67 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 64.12 110.874 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.461 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -45.34 -49.37 12.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 32.33 111.074 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.444 ' CG ' ' N ' ' A' ' 153' ' ' ASP . 1.6 ptm -52.83 -46.88 67.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 72.3 110.874 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.444 ' N ' ' CG ' ' A' ' 152' ' ' MET . 33.5 t70 -65.98 -68.36 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.865 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.738 ' CD1' HG22 ' A' ' 113' ' ' ILE . 0.7 OUTLIER -49.71 -31.19 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 71.23 110.895 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.72 100.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 61.11 110.888 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -57.48 178.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 61.42 110.89 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -52.47 125.45 16.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 72.35 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -154.14 -179.73 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 71.43 110.887 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -69.56 148.93 48.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 75.55 110.838 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.23 -177.7 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.887 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 72.3 110.869 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1001 ' ' ASP . . . . . 0.599 ' N ' ' HG ' ' A' ' 22' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 73.12 110.855 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 4.6 t70 -164.66 -40.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.883 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -58.79 -176.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 73.31 110.881 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -52.14 -44.64 64.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.855 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 52.9 30.7 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 44.44 110.862 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . -115.82 102.61 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 72.31 112.481 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 21.2 t80 -138.38 110.77 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 73.32 110.943 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -93.15 137.37 23.68 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.644 0.735 . . . . 72.41 110.863 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1009 ' ' PRO . . . . . 0.414 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.5 Cg_endo -69.8 -20.97 33.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 75.21 112.334 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.65 -15.09 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.907 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 10.8 p -127.35 119.96 27.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.2 111.197 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 71.53 110.954 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 tpt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.714 0.292 . . . . 75.45 110.915 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 58.72 25.6 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 75.34 110.914 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -125.2 -40.75 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.943 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -52.59 148.5 7.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.884 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 t70 65.13 57.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 53.1 110.834 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 -159.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 73.44 110.88 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' CE2' HG23 ' A' ' 11' ' ' VAL . 1.6 t80 -57.79 -14.86 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.921 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.45 -69.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 70.35 110.962 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.596 HD22 ' HD2' ' A' ' 35' ' ' TYR . 4.2 p-10 -53.3 -46.56 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.897 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 52.3 t80 -53.99 -70.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 62.44 110.872 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.443 HG23 ' CE2' ' A' ' 7' ' ' PHE . 1.2 t -52.64 -42.74 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 71.51 111.153 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.34 -47.59 72.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 64.21 111.124 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.734 HG23 ' HD3' ' A' ' 28' ' ' ARG . 26.7 m -58.13 -53.45 58.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 64.23 111.158 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.576 ' CD1' HD13 ' A' ' 68' ' ' ILE . 18.9 tp -55.04 -51.59 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 52.03 110.889 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.72 -55.01 18.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 51.42 110.864 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 t -57.97 -30.35 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 61.14 110.829 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.669 ' CD2' HD11 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -55.88 -62.16 1.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 75.54 110.941 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -57.55 -37.59 73.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 75.35 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -55.46 -25.26 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 65.22 110.865 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 17' ' ' PHE . 20.7 mt -54.56 176.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 72.21 110.873 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.62 -24.15 22.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 72.05 110.869 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 t -114.39 -49.63 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 72.14 110.852 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.594 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 114.34 24.02 4.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.778 -0.725 . . . . 64.45 112.464 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.602 HD11 ' HG ' ' A' ' 63' ' ' LEU . 24.6 mm -138.75 140.07 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 75.14 111.106 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -171.02 117.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.816 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.7 -53.43 41.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 44.45 112.496 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 t -47.14 -55.59 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 54.21 110.811 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.734 ' HD3' HG23 ' A' ' 13' ' ' THR . 10.8 mmp_? -54.27 -61.58 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 64.23 110.893 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.5 mt -47.96 -44.05 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 72.14 111.106 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.636 ' O ' HG22 ' A' ' 34' ' ' THR . 17.9 mttp -55.6 -53.03 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.866 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -52.58 -48.4 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.909 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD23 ' CD1' ' A' ' 10' ' ' PHE . 6.8 mt -58.4 -50.66 72.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 75.53 110.921 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 72' ' ' ILE . 4.7 m -57.32 -71.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 64.22 111.105 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.0 t -41.6 -45.27 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 71.12 111.152 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.596 ' HD2' HD22 ' A' ' 9' ' ' ASN . 17.2 t80 -58.17 -56.57 20.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 74.42 110.905 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.693 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -48.11 -57.6 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 55.33 111.126 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.825 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.5 mp -57.36 -48.69 78.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 70.14 110.918 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -56.4 -24.5 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 53.14 110.898 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CB ' HD11 ' A' ' 42' ' ' ILE . 25.7 m-70 -132.09 83.96 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 44.13 110.84 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.689 ' CG2' HG22 ' A' ' 93' ' ' THR . 14.6 mm -78.09 -2.14 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 70.02 111.114 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -88.63 22.74 2.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.851 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.607 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.3 pt -149.84 27.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.32 111.171 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.3 pm0 -55.9 -35.39 66.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 70.43 110.842 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -73.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 54.22 110.798 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -48.9 -45.4 41.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.882 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.607 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 79.2 mt -54.52 -73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 73.34 111.135 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.835 HD12 HD11 ' A' ' 101' ' ' LEU . 42.9 mm -48.0 -46.68 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.089 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 m -56.53 -44.24 80.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.817 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.436 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.5 tp -57.54 -66.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 71.43 110.914 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.9 pt -47.9 -45.16 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.113 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 104' ' ' VAL . 42.6 mt -55.57 -62.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 50.13 111.136 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -41.96 73.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 74.2 110.862 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.773 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.9 t80 -54.76 -38.94 67.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.918 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.653 ' OG ' HD22 ' A' ' 108' ' ' LEU . 25.1 p -66.48 -64.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.834 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -60.16 -17.23 39.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 63.41 110.885 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.2 mt -53.48 -80.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.875 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.69 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -93.45 170.08 9.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.537 0.684 . . . . 64.54 110.906 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.6 Cg_endo -69.77 -154.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 64.13 112.311 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.7 OUTLIER -27.37 -56.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 44.25 110.897 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 59' ' ' ASP . 11.0 p -33.0 -76.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.878 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.69 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 16.4 m170 -61.21 -36.12 79.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 71.45 110.909 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.9 mmtp -50.39 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.897 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.602 ' HG ' HD11 ' A' ' 24' ' ' ILE . 18.6 tp -53.44 -60.05 3.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 64.34 110.872 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.484 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -46.8 -52.71 11.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.493 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.8 p -54.57 -53.27 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 73.3 110.836 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.506 HD12 HG12 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -44.6 -52.25 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 73.3 110.931 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.538 ' CD2' HD12 ' A' ' 24' ' ' ILE . 3.0 m-30 -57.04 -49.12 76.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 70.21 110.945 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.669 HD11 ' CD2' ' A' ' 17' ' ' PHE . 31.7 mt -57.41 -56.14 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 71.03 111.147 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mt -55.61 -36.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.13 111.125 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -56.21 24.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.842 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -55.86 -56.23 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.854 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.4 ' HA ' HG23 ' A' ' 33' ' ' THR . 67.4 mt -54.47 -48.08 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 73.04 111.121 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.62 -55.47 24.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 44.1 112.469 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.544 ' HD2' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -50.68 -56.49 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 70.53 110.887 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.825 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -57.06 -59.75 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.21 111.12 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.693 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.4 m-30 -47.02 -48.71 21.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 60.3 110.926 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.476 ' HA ' HD11 ' A' ' 98' ' ' ILE . 36.9 tp -53.52 -61.23 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 72.32 110.926 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -39.68 68.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 61.42 110.848 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.629 ' HG3' HD23 ' A' ' 37' ' ' LEU . 10.6 mm-40 -55.63 -72.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 72.04 110.849 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.4 t -55.66 -42.73 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 71.1 111.119 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -54.31 -37.27 64.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 62.41 110.847 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.79 -30.43 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.868 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -114.42 -74.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 63.14 110.926 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -175.5 137.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.832 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -82.38 -177.45 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 55.01 110.894 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -146.71 144.7 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.832 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -110.23 65.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 74.24 110.837 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 p -105.22 152.35 22.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.45 110.866 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.7 p30 -98.24 35.72 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 71.51 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -154.81 160.56 30.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.536 0.684 . . . . 63.23 110.933 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.99 58.68 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.739 2.293 . . . . 74.22 112.344 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.23 -52.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 73.43 112.471 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.689 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -156.9 -173.92 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.33 . . . . 73.03 111.133 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 62.7 m -41.8 -42.29 2.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 65.12 110.918 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.98 -69.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 72.13 111.123 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.476 ' HA ' HD22 ' A' ' 99' ' ' ASN . 22.0 t-80 -53.93 -37.95 64.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 70.34 110.848 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.73 -57.41 12.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 42.14 111.077 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.476 HD11 ' HA ' ' A' ' 77' ' ' LEU . 91.9 mt -55.15 -60.88 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 52.44 111.135 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.476 HD22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -52.05 -46.23 65.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 71.13 110.895 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 m -54.41 -57.52 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.54 111.094 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.835 HD11 HD12 ' A' ' 47' ' ' ILE . 5.8 mt -51.91 -54.65 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 63.22 110.971 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.99 -16.07 31.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 73.12 112.474 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.571 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -90.91 -10.43 42.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 74.34 110.886 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.571 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.5 m -122.77 -14.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 72.2 111.133 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.836 HG13 HD12 ' A' ' 109' ' ' LEU . 3.2 tp -49.6 -29.55 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 73.54 111.131 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -51.18 -70.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.923 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -56.24 -40.58 74.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 61.02 110.88 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.653 HD22 ' OG ' ' A' ' 54' ' ' SER . 28.6 mt -56.6 -72.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 70.53 110.9 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.836 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -50.28 -67.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 73.0 110.91 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' LEU . 91.9 p -36.32 -57.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 53.31 110.879 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.58 -51.85 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 71.12 110.906 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.76 -57.65 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 62.54 111.099 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.522 HG22 HD11 ' A' ' 154' ' ' LEU . 2.1 mt -51.15 -56.93 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.43 111.102 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.459 ' HB2' HD12 ' A' ' 154' ' ' LEU . . . -57.95 -66.93 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 70.35 111.098 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -49.73 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 63.14 110.937 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.437 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 5.6 m -60.92 161.7 7.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 61.24 110.907 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -100.57 -175.72 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.21 110.877 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.622 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 11.0 tt0 -42.87 -52.19 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.31 110.919 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -62.33 -71.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.35 110.864 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 116' ' ' SER . 11.4 m170 -46.17 -59.18 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.823 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.61 -38.74 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.86 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.06 -44.41 97.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.871 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -57.55 -48.01 80.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 64.13 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.506 HG12 HD12 ' A' ' 66' ' ' LEU . 19.9 mt -57.43 -49.47 80.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.52 111.137 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -55.2 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.871 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -48.25 75.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 62.43 110.878 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.499 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 46.1 tp -53.19 -46.45 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.901 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.441 ' CD1' HG21 ' A' ' 145' ' ' ILE . 1.2 tt -56.31 -49.2 74.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 55.33 110.902 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -52.53 -49.41 64.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 62.43 110.901 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 74.2 mt -57.93 -41.48 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.04 111.077 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.499 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 43.5 m0 -54.39 -57.3 11.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 74.05 110.915 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -55.54 -55.65 29.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 54.24 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -55.73 -71.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.887 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 74.5 m -55.52 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 65.02 110.856 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 160.37 118.41 0.49 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 65.42 112.468 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.573 HD12 ' CD2' ' A' ' 137' ' ' PHE . 0.1 OUTLIER -153.08 -67.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.342 . . . . 73.43 110.901 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.573 ' CD2' HD12 ' A' ' 136' ' ' LEU . 48.0 m-85 -126.08 -175.96 3.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 73.2 110.888 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -55.4 140.98 38.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 71.11 110.872 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -63.12 91.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.908 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.8 p 46.71 36.65 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.861 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.499 ' N ' HD13 ' A' ' 142' ' ' LEU . 1.2 t80 -94.7 20.47 8.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 75.35 110.983 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.842 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -126.29 120.51 30.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 75.51 110.911 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.437 ' O ' ' O ' ' A' ' 144' ' ' ALA . 1.3 p-10 -53.03 -22.73 6.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.55 110.921 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -40.03 -95.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.14 111.076 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.619 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -69.57 -22.77 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 70.11 111.189 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.66 -53.62 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 60.41 110.901 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.5 p -62.1 98.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.865 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -47.22 -28.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 73.41 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 3.3 m -48.64 -29.54 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 70.05 110.86 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.647 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 3.6 m-30 -57.33 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.9 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 1.012 ' HA ' HD22 ' A' ' 154' ' ' LEU . . . -41.14 -36.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 53.24 111.125 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.401 ' O ' ' HG3' ' A' ' 155' ' ' GLU . 13.4 mtt -61.34 -70.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 62.04 110.884 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -65.97 -50.68 63.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 75.44 110.873 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.012 HD22 ' HA ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -46.87 -27.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.892 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.941 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -90.88 28.77 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.886 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -51.99 117.55 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.85 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -165.33 175.77 8.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 62.34 110.811 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -125.34 84.55 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.88 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -175.0 166.18 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 61.3 110.919 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 25.2 t60 55.09 36.4 26.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.04 110.872 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 30.9 m80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.15 110.865 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 16.8 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.854 0.359 . . . . 65.31 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.85 -37.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 64.35 110.868 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.59 -74.84 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.864 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.26 95.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.882 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.0 99.33 7.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 73.12 110.895 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 161.23 73.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.729 . . . . 52.12 112.482 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 9.4 t80 -110.87 137.77 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 62.24 110.935 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -114.65 136.99 22.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.683 0.754 . . . . 52.21 110.842 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.1 26.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 63.42 112.345 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -12.75 61.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 73.15 110.954 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 7.5 p -130.85 142.41 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 65.23 111.168 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.962 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tpt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.731 0.301 . . . . 63.4 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -140.05 -177.24 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 72.14 110.88 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.1 -25.07 68.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 61.35 110.903 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -62.37 136.32 57.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 53.43 110.824 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 64.83 51.25 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.44 110.876 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.83 -160.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.852 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.461 ' CE2' HG23 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -57.5 -14.53 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.865 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -53.04 -69.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 65.42 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.536 HD22 ' HD2' ' A' ' 35' ' ' TYR . 4.1 p-10 -52.91 -48.06 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.905 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.775 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 46.7 t80 -53.63 -69.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.872 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.461 HG23 ' CE2' ' A' ' 7' ' ' PHE . 1.2 t -52.15 -42.99 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 73.13 111.104 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.68 -48.51 72.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 63.45 111.106 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 28' ' ' ARG . 95.5 m -58.04 -52.84 63.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.42 111.102 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.418 HD23 ' HG ' ' A' ' 49' ' ' LEU . 14.7 tp -56.51 -52.94 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 55.23 110.924 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -49.84 -59.24 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 54.13 110.882 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -55.32 -31.98 62.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.87 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.13 -64.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 74.41 110.832 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -55.11 -36.19 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 53.44 110.886 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.45 -24.41 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.858 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.45 166.29 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.932 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.99 62.31 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 63.52 110.862 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.73 35.59 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.844 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.19 -50.46 3.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 71.42 112.452 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.484 HD13 ' HG ' ' A' ' 63' ' ' LEU . 7.3 mt 58.46 83.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 63.52 111.146 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.73 122.99 31.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.913 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.2 -42.01 54.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 62.05 112.529 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -51.29 -48.44 62.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 52.45 110.824 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 13' ' ' THR . 6.2 mpt_? -52.89 -60.33 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.919 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.485 ' HA ' HD12 ' A' ' 32' ' ' LEU . 93.1 mt -49.28 -44.19 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.21 111.116 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.651 ' O ' HG22 ' A' ' 34' ' ' THR . 24.9 mtpt -55.67 -53.31 58.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 64.13 110.931 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -51.73 -49.05 63.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.32 110.914 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD23 ' CD1' ' A' ' 10' ' ' PHE . 6.5 mt -57.37 -50.9 71.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 42.01 110.923 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.402 ' HA ' HG12 ' A' ' 72' ' ' ILE . 20.7 m -57.75 -72.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.473 . . . . 60.45 111.178 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.5 t -41.48 -44.81 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 71.33 111.144 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.536 ' HD2' HD22 ' A' ' 9' ' ' ASN . 25.0 t80 -58.08 -56.74 18.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.447 . . . . 74.12 110.884 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.695 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -48.38 -57.24 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 64.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.711 HD21 ' HB1' ' A' ' 75' ' ' ALA . 2.2 mp -57.55 -46.09 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.34 110.866 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.92 -27.41 52.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 62.03 110.869 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.627 ' CB ' HD11 ' A' ' 42' ' ' ILE . 20.2 m-70 -130.11 83.66 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 63.52 110.881 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.605 HG22 HG22 ' A' ' 93' ' ' THR . 18.4 mm -77.38 -1.46 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 72.44 111.125 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -90.44 18.88 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 62.35 110.894 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.627 HD11 ' CB ' ' A' ' 39' ' ' HIS . 2.1 pt -147.63 31.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 31.32 111.14 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.62 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.6 OUTLIER -58.74 -35.43 72.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 75.1 110.921 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.6 t -58.74 -72.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 62.02 110.814 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.43 -46.81 26.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 53.21 110.881 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.775 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 82.5 mt -56.41 -69.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 75.52 111.089 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.565 HD12 ' CD1' ' A' ' 101' ' ' LEU . 37.7 mm -47.69 -47.76 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 73.42 111.141 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -58.09 -40.73 81.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.809 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' CE2' ' A' ' 10' ' ' PHE . 17.1 tp -58.61 -66.28 0.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 72.04 110.929 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.8 pt -46.66 -45.31 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.02 111.153 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt -55.62 -59.33 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 64.14 111.121 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -49.92 74.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.859 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.545 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -50.49 -36.8 35.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.919 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.664 ' OG ' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -63.82 -74.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 72.54 110.878 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.97 -33.0 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 70.35 110.85 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 53' ' ' TYR . 21.4 mt -57.22 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.921 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -57.31 142.6 75.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 72.22 110.915 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -99.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 74.42 112.314 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' SER . 2.1 p-10 -68.33 -54.13 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 73.53 110.875 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -37.64 -50.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.855 -179.784 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.47 -52.79 64.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 74.22 110.845 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 7.6 mtmp? -34.89 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.87 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.484 ' HG ' HD13 ' A' ' 24' ' ' ILE . 9.2 tp -60.9 -56.75 17.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 45.44 110.888 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.35 -75.28 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 70.3 112.505 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 64' ' ' GLY . 15.2 t -36.56 -62.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 74.2 110.862 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.768 ' CD2' HD23 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -39.19 -53.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 73.41 110.957 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.478 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 7.6 m-30 -58.07 -48.58 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.904 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 89.8 mt -56.47 -56.12 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 72.15 111.166 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mp -55.87 -36.2 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 64.15 111.095 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -56.69 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 54.11 110.859 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 p -56.36 -61.29 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.846 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' A' ' 33' ' ' THR . 64.5 mt -53.12 -42.98 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 75.24 111.176 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.63 -58.99 10.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 72.02 112.482 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -52.15 -54.04 35.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.329 . . . . 74.05 110.844 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.711 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -55.5 -61.28 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.11 111.088 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.695 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.6 m-30 -50.23 -46.61 54.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.932 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.637 HD22 ' HA ' ' A' ' 136' ' ' LEU . 15.5 tp -52.48 -54.07 37.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 71.23 110.905 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -42.82 74.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.24 110.867 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.32 -72.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 72.01 110.888 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.65 HG21 HD12 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -53.22 -37.36 61.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 73.42 111.146 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -55.48 -45.74 76.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.908 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -51.22 -67.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.01 110.854 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -72.55 -75.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 64.41 110.908 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 p -179.68 168.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.816 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -102.2 -170.75 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 74.24 110.894 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -143.56 -170.63 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 63.41 110.892 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -82.55 -170.24 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 54.11 110.859 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.5 p -114.64 50.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 63.52 110.85 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -120.7 97.35 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 73.45 110.821 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.82 160.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 74.43 110.878 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.1 Cg_endo -69.75 176.13 7.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 75.12 112.341 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 93' ' ' THR . . . 175.01 -45.3 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 73.32 112.449 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.605 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -164.45 -174.64 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 43.45 111.154 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.6 p -41.19 -48.01 3.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 75.33 110.896 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.05 -67.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 62.22 111.074 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 44.9 m80 -51.51 -36.23 43.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.872 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.62 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.46 -60.71 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 72.32 111.111 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.65 HD12 HG21 ' A' ' 80' ' ' THR . 58.5 mt -53.81 -45.73 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.45 111.119 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -56.07 -53.02 62.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.835 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.8 m -54.57 -53.81 49.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.42 111.134 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.565 ' CD1' HD12 ' A' ' 47' ' ' ILE . 35.4 mt -50.83 -57.15 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 64.21 110.96 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.24 -15.56 23.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 65.45 112.501 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -88.71 -11.47 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 73.21 110.914 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.574 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.1 m -122.67 -16.37 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 62.41 111.122 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.738 HG13 HD12 ' A' ' 109' ' ' LEU . 2.0 tp -48.9 -30.35 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 71.45 111.147 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.409 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -47.43 -70.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.944 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -54.7 -40.67 69.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 63.5 110.905 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.664 HD22 ' OG ' ' A' ' 54' ' ' SER . 34.1 mt -55.72 -75.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.958 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.957 HD13 HD12 ' A' ' 145' ' ' ILE . 0.3 OUTLIER -53.04 -61.81 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.898 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' LEU . 46.1 t -36.32 -69.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 40.01 110.88 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.88 -44.46 29.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 65.1 110.884 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.463 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.45 -56.31 21.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 62.41 111.113 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.628 ' HB ' HD11 ' A' ' 154' ' ' LEU . 2.2 mt -55.24 -45.21 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.12 111.132 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.01 -68.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.094 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -48.62 64.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 88.8 p -51.86 142.64 14.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 64.32 110.861 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 121' ' ' LYS . 1.1 p30 -93.76 -176.33 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 65.24 110.898 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.624 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 75.0 mt-30 -39.97 -54.0 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 74.41 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -70.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.831 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 13.7 m-70 -46.52 -59.58 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.848 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.78 -38.15 6.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 70.34 110.911 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.43 -45.35 94.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.875 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -57.64 -50.68 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 72.52 110.864 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.679 HG12 HD13 ' A' ' 66' ' ' LEU . 72.6 mt -56.18 -53.1 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 63.13 111.169 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.47 -52.54 21.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.841 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -46.3 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.87 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.768 HD23 ' CD2' ' A' ' 66' ' ' LEU . 18.7 tp -55.29 -48.01 74.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.33 110.885 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.585 HD21 ' HB ' ' A' ' 145' ' ' ILE . 3.2 tp -55.85 -51.72 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 75.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -51.12 -48.16 61.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 72.22 110.847 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.8 mt -56.92 -43.47 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 61.32 111.154 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.657 ' CG ' HD23 ' A' ' 136' ' ' LEU . 49.5 m0 -55.16 -60.68 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 65.04 110.882 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.26 -54.75 41.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 62.31 110.88 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -51.08 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.906 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.7 t -50.61 -60.61 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 64.23 110.857 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 135.86 70.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 54.52 112.513 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.657 HD23 ' CG ' ' A' ' 131' ' ' TRP . 60.9 tp -120.98 139.01 53.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 74.04 110.953 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.499 ' CE1' HG23 ' A' ' 98' ' ' ILE . 3.3 m-85 50.86 46.84 25.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.871 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -93.05 18.42 9.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 72.2 110.926 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.76 -9.78 24.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.6 96.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.849 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.715 ' C ' HD13 ' A' ' 142' ' ' LEU . 50.9 p90 -56.84 -177.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 53.34 110.906 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.773 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -146.86 130.87 17.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 74.23 110.892 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.447 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 0.2 OUTLIER -58.06 -20.13 36.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.03 110.883 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -41.71 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 33.4 111.072 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.957 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.64 -24.34 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.02 111.13 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.447 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 5.8 ttt180 -43.43 -50.78 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.896 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.46 92.97 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 61.4 110.873 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 152' ' ' MET . 25.2 mmtm -43.98 -33.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.918 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 153' ' ' ASP . 34.7 m -40.54 -38.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 70.21 110.873 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' A' ' 154' ' ' LEU . 16.9 m-85 -58.25 -81.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.9 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.695 ' HA ' HD22 ' A' ' 154' ' ' LEU . . . -29.12 -60.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 73.45 111.165 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.556 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 1.3 ptm -60.46 -62.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 51.33 110.873 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 149' ' ' CYS . 12.4 t70 -62.01 -68.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 65.41 110.851 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.933 HD23 ' N ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -38.78 -35.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 70.24 110.914 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.933 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -49.62 -59.72 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.01 110.89 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -99.19 175.84 5.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 75.53 110.885 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -57.33 177.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.897 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -95.17 39.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 63.33 110.872 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -123.95 50.23 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -75.28 -179.66 4.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.14 110.87 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 55.13 110.852 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 54.44 110.844 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -124.8 80.45 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 74.32 110.865 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 36.1 t0 -151.64 54.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 70.15 110.862 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 69.16 -75.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 62.3 110.869 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.11 166.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 72.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 60.65 67.64 2.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 71.12 112.481 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 34.0 t80 -61.63 134.94 57.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 71.22 110.912 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1008 ' ' ASN . . . . . 0.407 ' HA ' ' HD2' ' B' 1009 ' ' PRO . 51.3 t-20 -106.58 94.24 9.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.659 0.742 . . . . 72.41 110.872 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1009 ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' B' 1008 ' ' ASN . 53.6 Cg_endo -69.81 -8.66 24.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 63.13 112.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -35.05 69.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.921 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 18.5 p -146.77 121.74 10.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 73.23 111.116 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 64.31 110.934 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 ptt? . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.753 0.311 . . . . 71.01 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -116.89 -35.43 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 73.32 110.924 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.55 -37.22 9.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.882 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -68.21 -19.09 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.875 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -108.45 43.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 64.35 110.836 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -90.73 -162.57 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.906 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' CE2' HG23 ' A' ' 11' ' ' VAL . 3.9 t80 -48.12 -26.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.88 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.61 -56.94 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.907 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.01 -52.38 58.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 71.1 110.882 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.755 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 45.8 t80 -55.38 -70.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.883 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.449 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -47.6 -44.05 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 73.24 111.131 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -52.22 -51.02 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 41.44 111.114 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.569 HG21 ' O ' ' A' ' 28' ' ' ARG . 29.7 m -57.09 -52.55 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 52.11 111.15 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 14' ' ' LEU . 12.4 tp -56.0 -52.62 63.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 75.45 110.94 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -49.92 -55.78 13.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.954 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -57.08 -30.87 64.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 74.51 110.832 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.443 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.52 -62.29 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.844 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . 11.6 pttt -57.5 -37.71 73.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.937 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.54 -24.78 34.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 63.15 110.86 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 17' ' ' PHE . 19.4 mt -57.02 179.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.926 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -91.15 -23.04 20.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 74.15 110.895 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.7 t -117.6 -53.27 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 62.02 110.903 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.519 ' C ' HD12 ' A' ' 24' ' ' ILE . . . 113.03 35.44 1.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 54.42 112.509 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.519 HD12 ' C ' ' A' ' 23' ' ' GLY . 4.9 mp -146.34 137.81 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 62.11 111.161 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.99 119.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 53.2 110.832 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.36 -50.0 61.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 73.43 112.466 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -47.02 -57.03 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 63.2 110.865 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.569 ' O ' HG21 ' A' ' 13' ' ' THR . 4.8 mpt_? -51.63 -59.28 4.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 70.03 110.891 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.9 mt -48.86 -43.38 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.633 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -56.18 -56.5 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.88 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -50.86 -49.26 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.883 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 10' ' ' PHE . 13.7 mt -57.52 -52.7 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 54.31 110.945 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.405 ' HA ' HG12 ' A' ' 72' ' ' ILE . 5.1 m -57.46 -71.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 74.13 111.143 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.9 t -41.44 -44.54 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 71.31 111.124 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.489 ' N ' HG23 ' A' ' 34' ' ' THR . 19.1 t80 -59.46 -55.75 30.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 71.15 110.911 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.651 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -48.03 -57.41 5.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 52.03 111.109 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.846 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.2 mp -57.15 -48.88 77.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 63.33 110.888 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.82 -23.62 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 64.21 110.911 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.613 ' CB ' HD11 ' A' ' 42' ' ' ILE . 10.5 m-70 -133.11 84.5 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.2 110.829 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.625 ' CG2' HG22 ' A' ' 93' ' ' THR . 22.1 mm -78.04 -2.34 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 72.42 111.136 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -88.78 24.36 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.845 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.654 HG22 ' CE ' ' A' ' 45' ' ' LYS . 1.3 pt -151.5 27.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 71.34 111.14 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.6 pm0 -56.59 -36.22 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.894 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.416 ' HB2' ' HB2' ' A' ' 91' ' ' PRO . 20.9 t -59.16 -74.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 71.34 110.857 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.654 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.33 -46.31 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 72.22 110.887 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.755 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 87.1 mt -55.86 -73.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 72.14 111.103 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.019 HD12 HD11 ' A' ' 101' ' ' LEU . 41.9 mm -47.2 -48.02 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 45.24 111.107 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -56.79 -44.19 81.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 61.44 110.858 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.7 tp -57.47 -68.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 74.03 110.909 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.4 pt -45.5 -46.39 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 54.31 111.095 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.535 HD13 HG21 ' A' ' 104' ' ' VAL . 47.5 mt -55.45 -59.14 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 73.1 111.115 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.59 -48.24 75.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.885 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.719 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.6 t80 -51.37 -39.28 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 63.43 110.92 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.4 t -64.89 -70.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 74.43 110.839 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -20.94 25.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 63.31 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.2 mt -51.96 -79.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.686 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -87.87 169.83 13.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 50.13 110.866 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.81 -158.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 75.51 112.326 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -30.67 -52.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 61.12 110.881 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 59' ' ' ASP . 13.2 p -32.32 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.849 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.686 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 11.9 m170 -61.77 -40.51 95.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.52 110.859 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.6 mmtt -42.17 -62.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 62.42 110.937 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 15.0 tp -59.21 -55.76 30.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 72.02 110.889 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.26 -64.46 3.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 61.55 112.554 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -44.53 36.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 71.34 110.874 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.586 HD22 ' CD2' ' A' ' 127' ' ' LEU . 0.5 OUTLIER -48.1 -55.37 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 72.43 110.915 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.564 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 14.6 m-85 -55.75 -45.95 77.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.906 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.97 -51.19 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 74.4 111.117 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.592 HG23 HD22 ' A' ' 101' ' ' LEU . 14.0 mt -57.53 -37.78 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.146 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.39 -55.36 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 62.34 110.858 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.7 p -56.65 -57.97 10.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.881 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.405 HG12 ' HA ' ' A' ' 33' ' ' THR . 61.6 mt -54.58 -44.18 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 74.25 111.14 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.57 -62.32 6.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 63.21 112.466 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.809 ' HD3' HD22 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -48.86 -53.47 19.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 63.15 110.89 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.846 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -56.19 -59.77 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 62.51 111.113 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.651 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.6 m-30 -49.71 -46.74 50.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 72.31 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -53.21 -63.87 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 70.03 110.954 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -38.79 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 63.14 110.883 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.638 ' HG3' HD23 ' A' ' 37' ' ' LEU . 8.2 mm-40 -55.27 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 71.23 110.919 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 76' ' ' TYR . 2.7 t -52.37 -45.63 65.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 73.41 111.129 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.578 ' CD ' HD12 ' A' ' 77' ' ' LEU . 38.5 mtm180 -50.99 -39.47 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 70.01 110.84 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -52.37 -29.88 26.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 50.03 110.836 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -113.73 -76.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 74.34 110.9 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 m -164.87 122.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.919 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -115.94 159.73 21.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 73.04 110.903 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.86 178.28 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 65.04 110.848 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.1 m -94.78 47.48 1.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 72.24 110.865 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -51.48 119.95 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 74.35 110.85 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 39.0 p-10 -51.06 144.2 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt 64.27 154.04 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.712 . . . . 74.24 110.901 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 44' ' ' SER . 54.3 Cg_endo -69.73 161.71 44.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 75.32 112.376 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.88 -38.84 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 42.33 112.457 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.625 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -156.28 -175.36 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 72.44 111.117 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.441 ' SG ' HD12 ' A' ' 40' ' ' ILE . 82.0 m -47.62 -36.26 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.884 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.92 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 73.31 111.113 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -53.52 -34.79 59.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 50.54 110.877 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.66 -56.42 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.23 111.111 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 77' ' ' LEU . 54.4 mt -57.33 -55.88 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 72.35 111.152 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -43.53 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.1 110.888 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.2 m -56.38 -55.14 37.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 73.24 111.127 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.019 HD11 HD12 ' A' ' 47' ' ' ILE . 3.1 mt -54.74 -53.33 56.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 63.22 110.899 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.11 -15.94 31.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 44.21 112.484 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.62 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -92.48 -8.82 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 72.51 110.906 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.62 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.9 m -124.45 -14.81 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 64.13 111.107 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.829 HG13 HD12 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -50.82 -30.56 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 64.33 111.098 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.461 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -47.55 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.926 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.05 -37.02 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.886 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -55.89 -74.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 61.51 110.925 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.862 HD13 HD12 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -51.5 -64.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.912 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 89.9 p -36.37 -63.75 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 74.2 110.834 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -50.48 -48.65 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.855 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.59 -56.59 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 51.13 111.095 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.769 HG22 HD11 ' A' ' 154' ' ' LEU . 4.1 mt -54.33 -52.41 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 52.32 111.131 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.525 ' N ' HD12 ' A' ' 154' ' ' LEU . . . -56.79 -68.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 42.25 111.09 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.7 -50.09 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.907 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 4.2 m -54.17 158.36 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 72.52 110.895 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -97.72 -175.02 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 50.23 110.908 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.619 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.0 tt0 -44.31 -51.62 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.911 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -62.69 -69.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 64.13 110.872 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 116' ' ' SER . 15.7 m170 -47.3 -59.18 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.31 110.822 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.88 -38.84 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.926 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.3 -44.37 97.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 60.53 110.841 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -57.07 -48.81 77.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.931 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.578 HG21 HG12 ' A' ' 113' ' ' ILE . 69.3 mt -57.43 -50.16 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 54.45 111.091 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -52.66 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.857 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -46.55 81.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 73.01 110.884 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.791 HD12 ' HG3' ' B' 1009 ' ' PRO . 15.8 tp -50.29 -51.97 40.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.949 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.653 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.77 -48.26 78.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 55.01 110.954 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.08 -51.89 39.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.858 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.407 HG21 ' HG2' ' B' 1009 ' ' PRO . 61.9 mt -58.53 -41.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 70.22 111.098 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.781 ' CD1' HD23 ' A' ' 136' ' ' LEU . 38.7 m0 -50.69 -61.05 2.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 72.15 110.943 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -55.93 -52.46 64.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 61.32 110.833 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -53.29 -70.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.876 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.1 t -56.42 -77.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 25.31 110.832 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 152.39 96.42 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 64.44 112.47 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.809 HD22 ' HD3' ' A' ' 74' ' ' ARG . 11.5 tp -156.07 135.15 12.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 71.24 110.902 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.615 ' N ' HD12 ' A' ' 136' ' ' LEU . 11.5 m-85 57.93 38.86 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.838 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.07 53.17 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.901 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -99.96 68.94 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 55.12 110.903 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 67.55 12.24 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 61.02 110.823 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.477 ' C ' HD13 ' A' ' 142' ' ' LEU . 74.1 m-85 61.08 167.75 0.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 63.35 110.913 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.866 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -128.4 126.68 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 52.22 110.897 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.471 ' O ' ' O ' ' A' ' 144' ' ' ALA . 6.5 p30 -55.1 -25.5 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 63.43 110.874 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -34.72 -96.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 60.14 111.062 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.862 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -71.15 -25.08 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 73.52 111.152 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.461 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 9.1 ttt180 -36.53 -45.15 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 64.45 110.84 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.9 t -84.83 108.1 17.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 71.11 110.882 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -50.01 -16.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 73.1 110.909 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' CYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 153' ' ' ASP . 26.5 p -41.5 -37.31 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.902 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.658 ' CD1' ' N ' ' A' ' 151' ' ' ALA . 10.9 p90 -60.01 -53.47 57.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.853 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.658 ' N ' ' CD1' ' A' ' 150' ' ' PHE . . . -58.52 -60.9 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 74.1 111.094 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.585 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -56.08 -45.5 79.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 72.24 110.842 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 149' ' ' CYS . 28.3 t0 -65.45 -67.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 44.4 110.892 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.969 HD23 ' N ' ' A' ' 155' ' ' GLU . 0.1 OUTLIER -59.87 -9.91 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.969 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.969 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.32 95.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.872 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -65.13 169.62 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 64.33 110.885 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -97.94 51.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.864 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -101.99 59.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.868 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 26.8 m170 51.83 79.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.89 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -119.24 -33.86 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 64.22 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.874 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.807 0.337 . . . . 73.15 110.855 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 39.8 t0 -78.12 65.36 3.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 64.32 110.871 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.07 -171.1 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.892 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -110.16 -46.65 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.844 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 28.3 m-20 52.45 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 70.12 110.902 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 55.36 80.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 45.04 112.496 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1007 ' ' TYR . . . . . 0.403 ' HH ' HH12 ' A' ' 74' ' ' ARG . 13.7 t80 -110.79 143.7 40.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.906 0.384 . . . . 74.41 110.927 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 4.8 p30 -134.2 153.96 79.78 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 62.31 110.89 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1009 ' ' PRO . . . . . 0.791 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.8 Cg_endo -69.74 -13.43 34.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 61.11 112.369 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -16.83 63.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.918 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 2.8 p -85.05 -175.22 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 71.44 111.171 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 74.52 110.929 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.852 0.358 . . . . 74.24 110.925 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -49.85 -26.05 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 54.13 110.851 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -49.85 -58.01 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.905 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.31 -50.5 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 71.34 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.794 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 43.9 t80 -55.3 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 63.41 110.886 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -48.55 -44.47 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 64.33 111.136 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.05 -49.8 65.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.22 111.067 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 28' ' ' ARG . 85.5 m -56.97 -53.58 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 73.43 111.176 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.6 tp -55.96 -52.36 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 50.03 110.957 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.68 -56.05 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.925 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -56.35 -31.67 63.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 72.31 110.86 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.524 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -57.13 -62.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.848 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -56.68 -35.94 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 74.14 110.893 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.21 -22.05 26.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 44.42 110.888 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.925 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 17' ' ' PHE . 5.0 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.814 0.34 . . . . 70.15 111.123 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -86.04 131.52 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.51 -34.82 64.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 70.02 112.448 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -48.67 -54.53 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 53.22 110.858 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.58 ' O ' HG21 ' A' ' 13' ' ' THR . 10.6 mpt_? -50.99 -54.92 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 74.24 110.893 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.513 ' HA ' HD12 ' A' ' 32' ' ' LEU . 61.7 mt -50.49 -45.43 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 70.34 111.084 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 34' ' ' THR . 20.5 mtmt -55.67 -54.95 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.31 110.918 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -49.55 -50.06 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.15 110.857 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.2 mt -57.49 -48.55 78.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 62.4 110.952 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.403 ' HA ' HG12 ' A' ' 72' ' ' ILE . 4.4 m -58.03 -70.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 64.5 111.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 35' ' ' TYR . 10.0 t -42.73 -45.11 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 63.04 111.13 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.478 ' N ' HG23 ' A' ' 34' ' ' THR . 7.8 t80 -58.65 -55.05 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 63.3 110.961 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.689 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.08 -57.37 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 75.3 111.111 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.703 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.0 mp -57.58 -46.43 84.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 65.53 110.88 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -56.05 -26.23 48.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 54.23 110.892 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CB ' HD11 ' A' ' 42' ' ' ILE . 68.3 m80 -132.59 85.39 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.865 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.597 HG22 HG22 ' A' ' 93' ' ' THR . 21.0 mm -77.69 -1.29 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 63.34 111.128 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.14 22.46 3.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.841 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.667 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.4 pt -150.81 29.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 63.51 111.135 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.5 OUTLIER -58.4 -33.44 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.924 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -59.48 -73.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 72.11 110.825 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.504 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.96 -47.23 21.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 61.42 110.87 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.794 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 69.7 mt -56.3 -72.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 73.12 111.192 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.812 HD12 HD11 ' A' ' 101' ' ' LEU . 41.9 mm -46.83 -46.37 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 64.3 111.149 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.7 m -58.1 -44.43 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 42.3 110.853 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.497 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.8 tp -56.7 -66.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.22 110.91 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.583 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.9 pt -47.33 -46.07 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 63.34 111.094 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.455 HD13 HG21 ' A' ' 104' ' ' VAL . 46.2 mt -55.33 -57.6 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 74.13 111.12 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -47.08 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 72.24 110.889 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.686 ' HA ' HD12 ' A' ' 56' ' ' LEU . 4.5 t80 -51.18 -40.3 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 72.03 110.923 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 t -65.92 -69.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 70.34 110.869 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -22.69 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.902 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.6 mt -51.29 -78.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 64.23 110.917 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.657 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -89.43 169.26 13.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 62.2 110.916 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.75 -158.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.246 . . . . 72.55 112.334 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' A' ' 58' ' ' PRO . 50.9 t0 -31.12 -50.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 75.53 110.917 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' ASP . 24.9 t -35.09 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.87 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.657 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 7.9 m170 -59.83 -39.37 84.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 45.11 110.833 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -43.58 -62.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 45.15 110.903 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.414 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 17.4 tp -57.47 -54.99 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.903 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.42 -64.57 3.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 71.32 112.513 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -48.79 -45.08 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 72.14 110.859 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -48.53 -53.98 16.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 72.42 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.414 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 11.0 m-85 -56.1 -46.3 79.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.887 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.482 HD13 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -56.76 -54.07 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 72.13 111.154 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 65' ' ' SER . 5.1 mt -57.12 -37.11 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 71.31 111.113 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.75 -56.18 23.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 64.11 110.849 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.85 -55.4 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 61.22 110.87 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 33' ' ' THR . 81.5 mt -55.25 -46.95 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 72.22 111.15 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.29 -56.13 23.09 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 74.32 112.495 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -50.9 -57.43 8.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 53.33 110.874 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.703 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -55.62 -56.62 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 63.31 111.122 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.689 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.2 m-30 -49.81 -52.2 34.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.93 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 tp -50.25 -55.8 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 65.12 110.903 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.96 -43.54 73.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.868 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.533 ' HG3' HD23 ' A' ' 37' ' ' LEU . 10.4 mm-40 -55.85 -69.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.895 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 76' ' ' TYR . 4.9 t -55.09 -41.38 71.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 62.41 111.12 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -54.75 -40.56 69.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.2 m -51.62 -29.72 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 55.02 110.837 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -107.43 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 65.31 110.885 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 p -176.86 114.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 65.02 110.839 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 54.54 110.864 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.3 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.844 0.268 . . . . 63.41 112.35 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 93' ' ' THR . . . 172.51 -40.45 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.799 -0.715 . . . . 54.41 112.528 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.597 HG22 HG22 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -166.34 -173.72 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 65.15 111.139 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.462 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.3 m -42.29 -53.65 4.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.854 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.96 -64.21 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 74.42 111.127 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 62.4 m-70 -53.06 -37.5 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.907 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 94' ' ' CYS . . . -55.57 -61.87 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 64.21 111.063 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.1 mt -53.12 -45.7 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 71.11 111.096 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -56.21 -50.93 69.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 71.52 110.909 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.4 m -55.15 -51.66 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 74.42 111.166 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.812 HD11 HD12 ' A' ' 47' ' ' ILE . 21.9 mt -54.15 -52.35 61.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.903 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.82 -15.76 28.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 72.13 112.452 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.62 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -91.93 -7.37 49.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 75.52 110.863 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.62 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.6 m -125.87 -14.37 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.116 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.836 HG13 HD12 ' A' ' 109' ' ' LEU . 3.3 tp -49.25 -30.09 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.03 111.143 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.421 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -51.79 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.912 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -55.27 -40.09 70.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.0 -69.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 55.32 110.91 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.836 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -51.87 -69.48 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 71.41 110.948 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 109' ' ' LEU . 77.9 p -34.85 -60.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.86 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -52.66 -53.11 51.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 61.34 110.863 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.69 -57.21 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 55.44 111.062 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 124' ' ' ILE . 3.7 mt -55.67 -49.73 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 52.4 111.132 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.87 -66.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 55.35 111.118 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -25.87 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.33 110.92 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.412 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 9.8 m -79.17 157.19 27.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 44.5 110.853 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.41 -176.02 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.941 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.6 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 66.8 tt0 -38.05 -52.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 72.1 110.863 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.74 -74.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.862 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -45.76 -58.39 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.788 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.06 -38.38 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 64.22 110.936 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -62.01 -45.16 94.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 71.12 110.915 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -57.59 -49.18 77.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 61.43 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.64 HG21 HG12 ' A' ' 113' ' ' ILE . 61.4 mt -57.43 -49.9 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 71.4 111.128 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -50.59 -52.28 40.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.897 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.8 ttm -56.59 -51.53 68.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 54.01 110.892 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.584 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 18.5 tp -51.68 -46.28 63.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 61.44 110.952 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.455 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.8 OUTLIER -56.19 -47.9 77.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 72.15 110.937 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.45 -51.82 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.14 110.859 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.4 mt -56.78 -41.68 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 72.3 111.113 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.584 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 21.2 m0 -54.48 -58.71 6.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.933 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -54.87 -48.92 72.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 63.23 110.867 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -55.27 -56.51 19.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 73.1 110.877 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.832 -179.753 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.758 0.313 . . . . 65.44 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.493 ' CD1' HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -70.53 -20.37 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 65.05 111.168 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -38.09 -54.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 63.11 110.853 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 96.2 p -71.46 99.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 55.25 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -43.8 -26.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 73.41 110.878 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 5.5 m -46.98 -27.48 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 72.13 110.882 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.709 ' CG ' ' N ' ' A' ' 151' ' ' ALA . 10.6 p90 -55.24 -60.18 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.932 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.709 ' N ' ' CG ' ' A' ' 150' ' ' PHE . . . -66.73 -44.4 81.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 64.12 111.124 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 9.5 mmt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.912 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.64 0.733 . . . . 72.44 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -25.56 28.61 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.692 2.262 . . . . 72.52 112.371 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.975 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.821 0.343 . . . . 63.42 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -44.23 -35.53 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.863 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -55.02 -54.84 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -52.94 -50.98 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 60.02 110.917 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.801 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 38.8 t80 -55.57 -70.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 75.51 110.852 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -48.01 -44.1 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 72.53 111.117 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.2 -50.79 63.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.43 111.049 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.59 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.1 m -56.98 -52.54 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.11 111.161 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 14.3 tp -55.6 -54.67 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 61.12 110.933 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -50.15 -56.74 9.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 62.51 110.857 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 t -56.75 -29.95 63.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 74.1 110.86 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.492 ' CD2' HD11 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -55.76 -63.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.842 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -56.93 -37.27 71.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 63.31 110.906 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -55.78 -28.34 55.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.861 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 17' ' ' PHE . 15.8 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.905 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.678 HD11 ' HG ' ' A' ' 63' ' ' LEU . 22.2 mm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.83 0.347 . . . . 73.24 111.139 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.3 122.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 61.24 110.861 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.38 -62.09 6.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 43.52 112.465 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m -49.38 -47.77 47.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 71.44 110.864 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.59 ' O ' HG21 ' A' ' 13' ' ' THR . 9.5 mpt_? -54.49 -68.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 71.45 110.914 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -47.95 -43.15 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.112 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.65 ' O ' HG22 ' A' ' 34' ' ' THR . 20.0 mttt -55.65 -54.13 47.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.926 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -51.51 -48.13 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.53 110.901 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD23 ' CD1' ' A' ' 10' ' ' PHE . 16.6 mt -57.75 -51.62 68.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.921 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.428 HG23 ' HA ' ' A' ' 72' ' ' ILE . 6.1 m -57.6 -71.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.4 111.126 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.6 t -42.18 -45.34 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 65.41 111.101 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.483 ' N ' HG23 ' A' ' 34' ' ' THR . 27.1 t80 -58.33 -53.79 54.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 72.21 110.928 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.699 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -50.13 -57.8 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 73.24 111.078 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.643 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.5 mp -57.33 -46.87 82.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.866 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -55.9 -25.56 43.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 63.45 110.863 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.631 ' HB2' HD11 ' A' ' 42' ' ' ILE . 30.5 m-70 -131.0 83.7 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 73.42 110.848 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.619 HG22 HG22 ' A' ' 93' ' ' THR . 17.5 mm -78.88 -1.66 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.119 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -90.29 15.34 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 73.1 110.881 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.631 HD11 ' HB2' ' A' ' 39' ' ' HIS . 3.0 pt -143.25 29.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 61.41 111.151 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.696 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.2 pm0 -57.95 -36.94 73.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.878 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 t -58.4 -72.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 64.22 110.874 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.84 -47.31 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 63.13 110.897 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.801 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 84.4 mt -55.8 -70.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.25 111.129 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.637 HD12 HD11 ' A' ' 101' ' ' LEU . 38.8 mm -47.46 -47.06 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 63.54 111.148 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -58.16 -41.91 84.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.896 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.531 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.0 tp -57.85 -66.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 71.35 110.891 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.514 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.4 pt -47.59 -45.94 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 72.41 111.117 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -55.91 -60.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 63.41 111.133 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -56.39 -51.08 69.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.857 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.773 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -51.01 -36.01 37.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.919 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.622 ' OG ' HD22 ' A' ' 108' ' ' LEU . 4.3 p -63.69 -72.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.878 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.601 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.0 ptt85 -44.38 -32.85 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 73.24 110.85 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 53' ' ' TYR . 45.1 mt -60.8 -81.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.899 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 55.6 m -51.83 141.29 27.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.615 0.721 . . . . 71.33 110.853 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -99.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 75.4 112.363 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -68.34 -53.63 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.933 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.8 m -38.3 -49.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 43.33 110.87 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.595 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.7 -51.65 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.02 110.87 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.706 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.4 mtmp? -37.83 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.876 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.678 ' HG ' HD11 ' A' ' 24' ' ' ILE . 9.4 tp -62.85 -55.17 28.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 75.22 110.924 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.488 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -49.65 -76.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 70.34 112.526 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' GLY . 19.2 t -36.6 -59.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.969 0.414 . . . . 70.55 110.858 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.801 HD22 HD23 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -40.59 -54.5 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.948 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.602 ' CD2' HD12 ' A' ' 24' ' ' ILE . 3.3 m-30 -57.4 -48.77 78.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 73.15 110.941 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.492 HD11 ' CD2' ' A' ' 17' ' ' PHE . 69.3 mt -55.87 -55.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 65.12 111.169 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.8 mt -55.37 -37.31 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.117 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -58.41 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 55.03 110.88 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -53.84 -62.09 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 61.24 110.843 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.428 ' HA ' HG23 ' A' ' 33' ' ' THR . 58.5 mt -52.06 -47.4 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 74.23 111.126 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.84 -55.23 28.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 54.33 112.538 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -56.81 11.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 73.34 110.918 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.643 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -56.08 -59.64 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.41 111.098 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.699 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.5 m-30 -48.6 -46.49 39.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.94 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.5 tp -53.68 -56.4 17.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.915 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.2 -41.14 71.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 43.34 110.834 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.16 -72.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 62.12 110.864 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -55.18 -35.95 65.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.176 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -55.21 -44.65 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.861 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.62 -64.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 71.4 110.902 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -75.07 -75.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 65.23 110.862 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.18 146.33 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.901 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.4 p30 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.904 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.6 Cg_endo . . . . . 0 N--CA 1.465 -0.157 0 CA-C-O 120.865 0.277 . . . . 64.32 112.364 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 93' ' ' THR . . . 167.46 -41.41 0.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 71.32 112.469 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.619 HG22 HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -171.52 -174.02 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 62.01 111.158 -179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 p -40.65 -50.81 3.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.87 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.36 -61.94 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.23 111.054 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 61.4 m-70 -53.82 -39.9 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.886 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -53.71 -60.15 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 64.43 111.125 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.604 HD12 HG21 ' A' ' 80' ' ' THR . 50.7 mt -54.74 -45.24 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 53.41 111.126 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -55.42 -54.41 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.871 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.2 m -54.73 -49.83 69.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 75.02 111.124 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.637 HD11 HD12 ' A' ' 47' ' ' ILE . 38.2 mt -55.22 -56.94 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.898 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.91 -15.35 27.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 72.35 112.497 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.591 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -90.51 -8.6 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 64.22 110.899 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.591 HG13 ' HG2' ' A' ' 103' ' ' GLU . 4.2 m -123.94 -19.99 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 72.05 111.129 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.814 HG13 HD12 ' A' ' 109' ' ' LEU . 4.0 tp -46.63 -30.81 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 62.21 111.137 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.477 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -48.29 -74.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.3 110.95 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -51.51 -39.94 58.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 54.2 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.622 HD22 ' OG ' ' A' ' 54' ' ' SER . 51.3 mt -56.14 -71.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 60.22 110.918 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.814 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -52.14 -64.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.944 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 5.0 m -35.88 -64.9 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.843 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -49.4 -48.62 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 73.02 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.451 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.83 -57.2 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 60.41 111.115 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.578 HG12 HG21 ' A' ' 124' ' ' ILE . 2.7 mt -55.72 -45.14 79.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 75.14 111.1 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.1 -66.49 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 74.04 111.133 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -55.57 -56.3 21.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.32 110.91 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 77.3 p -39.06 143.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.868 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.474 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -92.4 -174.33 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.838 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.588 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.2 pp0? -43.33 -52.11 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.54 -68.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.477 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 12.1 m170 -47.94 -59.71 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.847 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -46.15 -37.53 7.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 75.25 110.904 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -60.89 -46.3 91.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.931 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -57.83 -49.12 77.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 72.23 110.933 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.652 HG12 HD13 ' A' ' 66' ' ' LEU . 57.8 mt -56.6 -49.85 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.114 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -50.93 -51.35 53.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 72.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.48 -50.89 68.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 63.45 110.85 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.801 HD23 HD22 ' A' ' 66' ' ' LEU . 38.3 tp -53.41 -43.67 68.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 52.34 110.925 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.73 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.5 OUTLIER -56.59 -48.82 76.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.51 110.903 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.49 -50.74 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 76.1 mt -57.38 -41.01 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 74.25 111.145 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.572 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 26.5 m0 -54.98 -59.22 5.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.96 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -55.33 -51.74 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 63.4 110.865 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -55.53 -69.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.867 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.13 110.838 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.737 0.303 . . . . 73.32 111.1 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.73 ' CB ' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -64.03 -27.08 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 72.11 111.162 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -39.48 -52.36 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.859 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 94.5 p -58.42 98.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 71.43 110.862 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -47.21 -28.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.926 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 48.5 t -47.76 -30.35 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.824 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -55.57 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 72.24 110.876 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -46.79 -45.98 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 53.42 111.165 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 1.1 ptm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.903 179.908 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.584 0.707 . . . . 65.51 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . 0.416 ' HG3' HD13 ' A' ' 127' ' ' LEU . 53.9 Cg_endo -69.77 -18.52 36.91 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.711 2.274 . . . . 64.21 112.373 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 61.54 110.908 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.824 0.345 . . . . 50.24 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' A' ' 11' ' ' VAL . 3.0 t80 -49.96 -25.11 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.854 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -48.72 -58.05 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 54.01 110.88 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.1 -51.66 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 63.51 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.793 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 32.3 t80 -55.94 -70.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 72.34 110.911 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.471 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -47.77 -45.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.34 111.104 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.428 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.24 -50.08 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.43 111.05 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.544 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.4 m -57.07 -53.41 58.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 72.13 111.127 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD23 ' HG ' ' A' ' 49' ' ' LEU . 12.0 tp -56.32 -53.83 52.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 71.32 110.933 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.0 -59.71 3.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 72.43 110.848 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -56.07 -30.44 61.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.861 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.445 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.1 t80 -56.84 -63.73 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.03 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -56.77 -37.29 70.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 64.42 110.935 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -55.69 -29.03 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.889 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 17' ' ' PHE . 18.2 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.915 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.719 HD11 ' HB3' ' A' ' 63' ' ' LEU . 2.5 mp . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.854 0.359 . . . . 73.44 111.109 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 120.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 64.54 110.884 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.44 -47.43 76.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 74.24 112.53 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 t -45.4 -59.62 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 64.32 110.845 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.544 ' O ' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -51.72 -58.83 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.853 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.589 ' HA ' HD12 ' A' ' 32' ' ' LEU . 78.9 mt -49.12 -45.55 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 73.22 111.14 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 34' ' ' THR . 7.7 mmtp -53.03 -57.14 11.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.873 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -47.5 61.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 54.55 110.895 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 29' ' ' ILE . 4.7 mt -58.61 -52.4 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 62.55 110.921 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.471 HG23 ' HA ' ' A' ' 72' ' ' ILE . 1.9 m -56.51 -69.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.168 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.1 t -44.85 -44.92 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 55.3 111.156 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.475 ' N ' HG23 ' A' ' 34' ' ' THR . 24.5 t80 -58.1 -58.95 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.9 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.731 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -46.77 -57.35 4.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 54.32 111.094 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.583 HD21 ' HB1' ' A' ' 75' ' ' ALA . 5.0 mp -57.07 -48.42 78.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 65.24 110.963 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -55.94 -25.31 42.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 64.55 110.858 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.63 ' CB ' HD11 ' A' ' 42' ' ' ILE . 12.1 m-70 -129.9 83.36 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.14 110.804 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.619 HG22 HG22 ' A' ' 93' ' ' THR . 20.7 mm -77.89 -1.27 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 73.25 111.172 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -90.3 18.11 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 55.43 110.863 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.63 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.6 pt -147.57 30.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 60.24 111.094 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.5 pm0 -57.75 -36.76 72.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.841 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 t -57.64 -74.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 64.41 110.841 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.67 -46.36 19.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.872 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.793 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 78.6 mt -56.72 -70.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.12 111.118 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.533 HD12 ' HG ' ' A' ' 101' ' ' LEU . 36.3 mm -46.72 -49.17 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 53.44 111.148 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -42.24 82.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 72.45 110.813 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.504 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.1 tp -57.3 -66.7 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.913 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.527 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.5 pt -46.85 -45.84 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.141 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -56.43 -57.9 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.101 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -57.02 -49.62 75.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 64.22 110.826 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.775 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -51.36 -37.08 46.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.929 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.578 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 9.3 p -63.04 -72.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 64.41 110.863 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.578 ' N ' ' OG ' ' A' ' 54' ' ' SER . 7.7 ptt85 -45.11 -32.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 72.43 110.916 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 53' ' ' TYR . 38.8 mt -60.75 -84.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.918 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -50.65 141.15 17.92 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.589 0.709 . . . . 65.54 110.9 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -100.36 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 73.43 112.349 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -68.95 -53.27 21.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 52.51 110.856 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -38.44 -50.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 53.24 110.868 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.553 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -57.05 -52.19 66.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 71.3 110.864 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.756 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.9 mtmp? -36.78 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 64.4 110.915 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.77 HD12 ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -61.51 -58.13 9.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.918 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.96 -76.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.493 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' GLY . 21.3 t -35.79 -58.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 74.34 110.827 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -41.38 -55.12 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 75.1 110.918 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.77 ' CE2' HD12 ' A' ' 63' ' ' LEU . 8.1 m-85 -56.45 -45.99 80.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.2 110.958 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.94 -56.0 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 71.51 111.137 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 105' ' ' ILE . 36.9 mt -55.91 -36.85 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 64.51 111.156 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -57.18 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 73.24 110.835 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -64.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 61.34 110.847 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.471 ' HA ' HG23 ' A' ' 33' ' ' THR . 83.3 mt -55.33 -33.98 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 63.42 111.123 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.26 -69.43 1.28 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.72 . . . . 74.51 112.465 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 ptt85 -55.19 -38.46 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 72.33 110.858 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.583 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -60.02 -61.0 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 72.21 111.096 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.731 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 3.0 m-30 -53.81 -46.86 71.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 71.5 110.936 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.0 tp -52.38 -53.82 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 74.33 110.906 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -43.72 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.898 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.23 -71.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -53.1 -40.06 63.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 55.34 111.125 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -55.46 -37.64 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.878 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -50.11 -32.92 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 61.41 110.873 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -119.67 -76.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 70.02 110.843 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -166.62 164.64 16.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.839 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 62.44 110.871 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.147 0 CA-C-O 120.878 0.283 . . . . 73.35 112.323 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 93' ' ' THR . . . 176.8 -37.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 54.52 112.49 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.619 HG22 HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -168.77 -174.54 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 72.22 111.169 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -42.33 -50.68 5.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 73.34 110.834 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.81 -64.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.12 111.086 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 42.7 m80 -51.43 -41.54 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 72.52 110.827 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.621 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -54.62 -57.28 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 31.13 111.128 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.411 ' CD1' HG21 ' A' ' 80' ' ' THR . 20.2 mt -52.21 -49.89 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 63.41 111.088 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -55.27 -54.98 36.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.893 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.6 m -50.04 -57.13 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.124 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.533 ' HG ' HD12 ' A' ' 47' ' ' ILE . 62.7 mt -49.69 -59.56 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.912 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.55 -14.43 21.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.675 -0.774 . . . . 34.43 112.493 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.545 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -88.09 -11.22 47.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 70.11 110.893 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.545 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.9 m -123.11 -20.61 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 72.42 111.107 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.773 HG13 HD12 ' A' ' 109' ' ' LEU . 3.5 tp -47.72 -30.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.24 111.136 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.462 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -49.1 -69.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 61.04 110.895 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.44 -39.83 73.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 105' ' ' ILE . 77.4 mt -55.09 -67.33 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.957 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.773 HD12 HG13 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -53.4 -63.82 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 54.25 110.862 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' LEU . 66.2 p -37.52 -67.25 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 50.42 110.905 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -48.2 -46.1 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.869 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.451 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -56.38 -59.05 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 73.33 111.064 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.433 HG12 HG21 ' A' ' 124' ' ' ILE . 2.4 mt -52.76 -50.07 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 73.33 111.112 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.18 -69.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.125 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -30.31 16.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 55.41 110.913 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.414 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 3.3 m -69.72 150.51 46.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.844 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.515 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -98.51 -172.86 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.889 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.633 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.6 mt-30 -44.52 -51.78 8.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 71.53 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -63.06 -66.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.515 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 43.2 m170 -48.59 -59.92 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 73.15 110.904 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.2 OUTLIER -45.91 -38.4 7.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.888 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -45.7 93.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 75.31 110.885 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -58.14 -50.08 74.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 62.25 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.619 HG12 HD13 ' A' ' 66' ' ' LEU . 52.6 mt -57.6 -48.9 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.01 111.129 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -52.0 -51.08 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 73.54 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.1 ttm -55.63 -54.24 46.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 52.4 110.866 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.814 HD12 ' HG3' ' B' 1009 ' ' PRO . 10.9 tp -50.36 -45.55 55.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 55.32 110.921 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.697 HD11 HD12 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -57.15 -49.12 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.889 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -51.7 -50.7 59.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 74.2 110.891 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.548 HG21 ' HG2' ' B' 1009 ' ' PRO . 62.4 mt -59.18 -39.53 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 64.13 111.135 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.587 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 38.4 m0 -52.36 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 74.3 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -55.75 -49.16 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.855 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -55.36 -71.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.858 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.843 -179.775 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.786 0.327 . . . . 55.11 111.122 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.697 HD12 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -65.09 -27.99 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.1 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 145' ' ' ILE . 0.8 OUTLIER -36.44 -53.48 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.852 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.5 t -50.95 102.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -47.86 -29.74 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 55.21 110.915 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.25 -30.97 19.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 65.45 110.911 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -55.92 -87.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 70.23 110.826 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -48.44 -43.34 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 73.1 111.131 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 12.3 mtp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 55.54 110.894 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.586 0.708 . . . . 61.23 110.933 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . 0.814 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.8 Cg_endo -69.75 -23.57 30.71 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.678 2.252 . . . . 71.13 112.321 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . 0.404 ' CD2' HG23 ' A' ' 130' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.884 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.825 0.345 . . . . 52.2 110.874 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -55.97 -31.83 63.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.864 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -57.12 -56.86 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 65.45 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.76 -51.76 62.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 64.11 110.836 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.782 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 28.9 t80 -55.07 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.873 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -48.33 -44.02 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 75.02 111.106 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.23 -49.86 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 34.04 111.11 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.534 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.1 m -56.84 -52.87 63.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 75.0 111.153 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD1' HD13 ' A' ' 68' ' ' ILE . 11.8 tp -55.9 -54.47 44.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.955 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -50.08 -58.47 5.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.882 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -56.91 -28.93 62.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 64.32 110.868 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.745 ' CD2' HD11 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -56.16 -62.92 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.923 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -57.59 -36.21 71.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 71.13 110.898 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -54.76 -24.55 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 65.1 110.842 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.531 HD12 ' HD1' ' A' ' 17' ' ' PHE . 20.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.942 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.791 0.329 . . . . 73.33 111.091 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.56 121.66 5.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.904 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.95 -42.05 85.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 55.12 112.451 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -48.57 -57.72 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 52.14 110.885 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.534 ' O ' HG21 ' A' ' 13' ' ' THR . 6.5 mpt_? -53.78 -58.66 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.11 110.877 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.48 HG23 ' HA ' ' A' ' 68' ' ' ILE . 67.3 mt -49.53 -43.94 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 64.12 111.185 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 34' ' ' THR . 8.1 mttp -55.14 -54.31 44.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 63.23 110.888 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.39 -50.26 65.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 70.41 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.556 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.4 mt -57.79 -51.21 70.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 74.14 110.929 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.41 ' HA ' HG12 ' A' ' 72' ' ' ILE . 5.0 m -57.4 -72.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 64.2 111.142 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.4 t -42.49 -43.74 3.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 75.35 111.133 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' HG23 ' A' ' 34' ' ' THR . 10.2 t80 -57.36 -57.53 12.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.905 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.481 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.72 -51.1 41.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 72.52 111.085 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.518 ' HA ' HD11 ' A' ' 40' ' ' ILE . 4.0 mm? -56.75 -50.08 73.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.934 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -57.21 -27.1 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.849 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.682 ' HB2' HD11 ' A' ' 42' ' ' ILE . 18.3 m-70 -130.09 85.29 2.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 65.41 110.851 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 40' ' ' ILE . 31.0 mm -80.47 -1.69 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 71.52 111.121 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -90.25 23.43 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 63.12 110.82 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.682 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.7 pt -148.11 30.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.21 111.144 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.696 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.8 pp20? -57.64 -37.17 72.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 64.34 110.891 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 t -57.82 -74.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 74.52 110.856 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.494 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.05 -47.41 22.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 62.3 110.886 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.782 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 86.8 mt -55.94 -70.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 74.21 111.159 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.894 HD12 HD11 ' A' ' 101' ' ' LEU . 38.0 mm -48.02 -47.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.43 111.071 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.4 m -57.27 -44.54 84.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 64.21 110.839 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.455 HD23 ' CE2' ' A' ' 10' ' ' PHE . 17.1 tp -56.99 -67.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.852 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.8 pt -46.61 -46.46 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.53 111.115 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.653 HD13 HG21 ' A' ' 104' ' ' VAL . 54.1 mt -56.95 -56.47 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 52.5 111.09 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -51.02 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.86 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.73 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.7 t80 -51.83 -38.05 54.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.907 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.1 t -63.33 -75.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 52.14 110.814 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -30.38 27.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 72.34 110.85 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.8 mt -42.48 -77.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 51.32 110.932 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.678 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -89.2 169.28 13.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 72.51 110.916 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.78 -158.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.654 2.236 . . . . 71.04 112.35 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -31.96 -50.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.24 110.913 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 59' ' ' ASP . 61.7 m -33.28 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 62.44 110.856 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.678 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 12.2 m170 -60.98 -38.61 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 72.22 110.863 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -45.29 -62.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.92 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.99 -59.18 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.92 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.72 -64.17 3.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 72.12 112.468 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -45.99 32.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.934 0.397 . . . . 52.22 110.845 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mt -47.84 -53.92 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 70.31 110.886 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -55.93 -46.44 78.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.919 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.745 HD11 ' CD2' ' A' ' 17' ' ' PHE . 22.8 mt -57.08 -52.99 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 55.23 111.099 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.579 HG12 HD12 ' A' ' 50' ' ' ILE . 54.4 mt -56.88 -37.98 56.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.1 111.133 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.05 -55.31 34.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 61.0 110.853 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -55.97 -56.97 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 54.24 110.871 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' A' ' 33' ' ' THR . 81.2 mt -55.03 -45.86 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 53.31 111.11 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.79 -56.15 24.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 61.24 112.485 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -57.7 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 73.4 110.904 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -55.13 -49.53 71.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 63.11 111.088 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.536 ' O ' HG22 ' A' ' 80' ' ' THR . 2.0 m-85 -55.16 -51.89 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 65.33 110.928 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.459 HD12 HD13 ' A' ' 98' ' ' ILE . 9.4 tp -51.09 -56.52 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 72.35 110.927 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -42.25 71.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 37' ' ' LEU . 22.1 mm-40 -56.26 -72.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.876 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 76' ' ' TYR . 2.5 t -52.95 -45.28 67.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 73.55 111.185 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -54.95 -35.79 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.915 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.15 -29.94 24.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.859 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -75.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 75.41 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t -178.21 154.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 65.5 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 75.13 110.925 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.825 0.26 . . . . 72.14 112.329 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.9 -37.64 0.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 61.34 112.524 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -152.81 -176.08 5.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.743 0.306 . . . . 73.42 111.171 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.458 ' SG ' HD12 ' A' ' 40' ' ' ILE . 79.6 m -47.86 -36.58 12.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.907 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.44 -72.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 74.52 111.117 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -53.24 -34.8 58.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.43 110.866 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -57.2 -57.9 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 73.41 111.105 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.459 HD13 HD12 ' A' ' 77' ' ' LEU . 55.9 mt -56.15 -54.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 63.14 111.152 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -43.25 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 62.31 110.901 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.8 m -56.73 -56.62 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.45 111.111 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.894 HD11 HD12 ' A' ' 47' ' ' ILE . 17.1 mt -55.31 -48.84 73.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 64.53 110.918 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.6 -14.56 29.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 64.53 112.451 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.628 ' HG2' HG13 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -97.94 -4.87 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 71.11 110.888 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.653 HG21 HD13 ' A' ' 51' ' ' ILE . 4.6 m -126.91 -13.88 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.137 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.828 HG13 HD12 ' A' ' 109' ' ' LEU . 1.4 tp -48.8 -31.42 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.147 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.428 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -47.75 -71.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.879 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.18 -37.93 70.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.894 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.69 -75.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 71.11 110.937 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.828 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -52.2 -61.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.892 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' LEU . 92.6 p -36.78 -62.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 75.45 110.88 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -55.35 -46.97 76.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 71.14 110.853 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.28 -58.74 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 54.51 111.073 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.6 mt -52.49 -51.54 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.111 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' HB3' ' HE2' ' A' ' 115' ' ' LYS . . . -57.38 -65.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 64.42 111.159 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -54.88 -21.31 11.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 44.31 110.903 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.454 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 6.2 m -85.31 150.34 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.83 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -97.98 -173.4 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 74.53 110.869 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.622 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 14.8 mt-30 -42.62 -52.54 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 74.11 110.881 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -68.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.842 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.423 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 19.1 m170 -47.46 -59.27 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.52 -38.55 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 63.22 110.886 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -61.47 -44.76 96.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 63.52 110.889 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -57.87 -49.42 76.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.908 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.438 ' CG2' HD23 ' A' ' 109' ' ' LEU . 62.2 mt -57.64 -50.4 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.1 111.136 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -52.41 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.883 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 ttm -55.85 -49.5 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.905 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.574 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 24.6 tp -51.06 -50.03 59.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 65.3 110.943 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.779 HD11 HG13 ' A' ' 145' ' ' ILE . 0.7 OUTLIER -55.28 -48.52 73.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 63.11 110.909 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -51.52 -49.42 61.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 73.21 110.857 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.9 mt -57.76 -43.04 83.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 61.1 111.144 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.574 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 45.5 m0 -53.58 -59.09 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 71.42 110.931 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -55.1 -49.87 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 75.42 110.85 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -53.5 -64.27 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.888 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 72.34 110.836 -179.779 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.727 0.298 . . . . 63.33 111.087 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.791 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.55 -24.15 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 62.21 111.14 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -42.53 -49.85 5.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.902 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.6 t -68.57 103.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.849 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -48.43 -26.78 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.884 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 2.6 m -46.91 -32.19 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 74.02 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -57.83 -95.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 70.33 110.887 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -38.73 -39.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 75.24 111.086 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 31.1 mtp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.881 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 27.4 t30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.628 0.728 . . . . 71.1 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.22 36.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 61.13 112.358 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.814 0.34 . . . . 73.12 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -46.82 -29.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 63.33 110.821 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -49.72 -58.08 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.921 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -53.53 -51.19 63.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.92 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.801 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 12.7 t80 -56.28 -68.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 74.1 110.886 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -48.49 -44.65 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 63.23 111.113 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -52.85 -50.53 63.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.15 111.064 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.553 HG21 ' O ' ' A' ' 28' ' ' ARG . 29.1 m -57.61 -52.19 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.15 111.15 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.426 HD21 ' HB3' ' A' ' 53' ' ' TYR . 10.1 tp -55.5 -55.48 31.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 72.2 110.93 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -49.41 -58.31 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.88 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 t -56.86 -28.73 62.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 72.35 110.891 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.548 ' HD1' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -56.38 -62.08 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 52.43 110.848 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -57.0 -35.15 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.915 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -55.53 -23.1 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 62.53 110.91 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.548 HD12 ' HD1' ' A' ' 17' ' ' PHE . 19.0 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.923 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.727 HD11 ' HG ' ' A' ' 63' ' ' LEU . 32.8 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.852 0.358 . . . . 74.13 111.109 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.6 m -152.77 119.06 5.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 75.05 110.823 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.21 -50.19 60.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 34.54 112.476 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -49.72 -51.96 34.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 73.04 110.824 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.553 ' O ' HG21 ' A' ' 13' ' ' THR . 10.5 mpt_? -55.06 -64.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.917 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.431 ' HA ' HD12 ' A' ' 32' ' ' LEU . 53.2 mt -49.23 -41.76 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 74.02 111.16 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.677 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.13 -56.79 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.89 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -52.86 -48.76 66.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 75.4 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 10' ' ' PHE . 11.3 mt -56.8 -52.83 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.964 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.402 HG23 ' HA ' ' A' ' 72' ' ' ILE . 10.5 m -57.51 -72.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 63.15 111.115 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.4 t -41.22 -44.68 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 62.54 111.164 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.484 ' N ' HG23 ' A' ' 34' ' ' THR . 21.9 t80 -57.37 -55.94 28.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.897 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -51.72 -52.67 46.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 63.23 111.135 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.442 ' HA ' HD11 ' A' ' 40' ' ' ILE . 3.6 mm? -57.85 -48.24 80.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.895 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.71 -27.47 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.83 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.657 ' HB3' HD11 ' A' ' 42' ' ' ILE . 5.7 t-160 -131.8 86.08 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.84 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.533 HG22 HG22 ' A' ' 93' ' ' THR . 15.1 mm -80.37 0.65 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 62.14 111.11 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -88.17 12.24 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 70.24 110.873 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.657 HD11 ' HB3' ' A' ' 39' ' ' HIS . 2.7 pt -139.22 30.82 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.34 111.172 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.0 pm0 -57.49 -37.62 73.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.01 110.885 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 t -57.95 -73.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.898 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.42 -46.2 26.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 73.43 110.877 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.801 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 75.0 mt -56.23 -71.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.099 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.726 HD12 HD11 ' A' ' 101' ' ' LEU . 40.2 mm -47.26 -48.43 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 62.22 111.115 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -57.61 -41.54 81.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.827 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 11' ' ' VAL . 20.1 tp -58.09 -67.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.918 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 47' ' ' ILE . 5.7 pt -46.54 -46.53 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 63.22 111.136 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.408 HD12 HG22 ' A' ' 47' ' ' ILE . 84.9 mt -56.37 -59.59 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 70.45 111.118 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.58 -52.57 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.02 110.899 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.426 ' HB3' HD21 ' A' ' 14' ' ' LEU . 2.9 t80 -49.36 -37.62 25.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 75.41 110.956 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.624 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 8.0 p -63.25 -76.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 73.24 110.843 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.624 ' N ' ' OG ' ' A' ' 54' ' ' SER . 6.6 ptt85 -42.69 -35.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.849 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.94 -75.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 61.02 110.904 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.8 m -46.54 151.28 1.04 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 73.12 110.9 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -155.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 74.12 112.32 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.432 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 10.4 p-10 -38.77 -46.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.89 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -44.01 -41.63 5.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 74.42 110.874 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.591 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.2 -49.25 77.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 65.0 110.852 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.597 ' O ' HD12 ' A' ' 66' ' ' LEU . 7.3 mttp -43.5 -67.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.913 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.727 ' HG ' HD11 ' A' ' 24' ' ' ILE . 9.4 tp -61.78 -58.48 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 74.24 110.88 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -50.04 -72.28 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 45.11 112.494 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' GLY . 39.7 t -37.68 -56.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 62.52 110.863 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.686 HD13 HG12 ' A' ' 124' ' ' ILE . 0.3 OUTLIER -41.81 -54.83 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 52.35 110.943 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.606 ' CD2' HD12 ' A' ' 24' ' ' ILE . 3.8 m-30 -57.46 -46.55 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.909 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.5 mt -55.82 -54.43 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 51.31 111.107 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.3 mt -56.03 -38.09 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 65.35 111.16 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -57.11 -54.42 46.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.01 110.913 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -56.39 -64.88 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 62.14 110.898 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.402 ' HA ' HG23 ' A' ' 33' ' ' THR . 39.9 mt -51.51 -44.58 33.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 75.05 111.109 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.35 -56.39 19.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.764 . . . . 62.03 112.508 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 mtm105 -53.35 -58.01 8.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 73.31 110.876 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.56 -58.77 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 63.32 111.091 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.604 ' O ' HG22 ' A' ' 80' ' ' THR . 2.3 m-85 -50.85 -46.05 59.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.905 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 tp -53.48 -53.85 45.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 64.14 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -41.56 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.861 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.91 -71.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.855 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.635 HG21 HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -54.43 -40.73 68.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.12 111.133 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -55.36 -39.32 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 73.1 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -59.72 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.854 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -92.97 -75.85 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.915 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 t -174.66 -175.06 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 70.21 110.878 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.5 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 64.12 110.869 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.803 0.251 . . . . 73.53 112.345 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 93' ' ' THR . . . 179.92 -33.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 75.4 112.502 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 92' ' ' GLY . 0.7 OUTLIER -162.9 -176.06 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 72.33 111.15 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.7 p -45.23 -44.76 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 75.2 110.884 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.07 -76.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 64.42 111.083 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -51.07 -34.98 32.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 73.53 110.908 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.5 -56.14 24.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 54.4 111.111 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 80' ' ' THR . 74.8 mt -56.63 -54.84 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 60.25 111.132 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -43.6 74.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 73.32 110.878 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.4 m -56.76 -55.53 33.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 63.44 111.152 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 47' ' ' ILE . 33.6 mt -52.86 -53.09 53.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.892 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.49 -15.23 23.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 74.23 112.521 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.547 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -88.41 -13.01 41.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 71.41 110.904 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.547 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -120.02 -19.28 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 72.32 111.136 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.748 ' HA ' HD12 ' A' ' 108' ' ' LEU . 4.6 tp -52.44 -27.19 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 63.45 111.135 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.403 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -50.21 -69.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 73.12 110.927 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.09 -43.81 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.55 110.879 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 105' ' ' ILE . 33.2 mt -54.89 -68.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 62.5 110.915 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.717 HD12 HG13 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -50.94 -68.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 70.54 110.94 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 109' ' ' LEU . 50.1 p -34.52 -70.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 51.24 110.876 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.99 -48.19 52.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 64.12 110.818 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.49 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -47.53 -59.59 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 65.43 111.142 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -58.31 -41.2 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.51 111.162 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.91 -71.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 72.43 111.073 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -42.44 74.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 50.24 110.883 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.463 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 5.8 m -49.74 143.3 7.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 52.14 110.859 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.473 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -94.88 -172.19 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.888 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.633 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 7.8 tt0 -43.46 -52.69 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.944 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.07 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 70.01 110.888 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.473 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 38.8 m170 -48.77 -60.05 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.834 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.92 -38.66 7.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.904 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -44.98 95.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 64.14 110.905 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -58.18 -51.93 67.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.686 HG12 HD13 ' A' ' 66' ' ' LEU . 51.5 mt -56.88 -51.48 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.12 111.117 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -54.3 16.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 53.15 110.91 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.37 -48.5 74.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.859 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.745 HD12 ' HG3' ' B' 1009 ' ' PRO . 7.8 tp -54.72 -43.93 73.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 65.01 110.878 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.62 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -57.06 -49.7 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 65.13 110.926 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.48 -55.01 36.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.833 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.435 HG21 ' HG2' ' B' 1009 ' ' PRO . 55.9 mt -56.81 -38.7 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 75.24 111.137 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.612 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 12.5 m0 -54.81 -61.42 2.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.928 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -55.8 -47.04 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.87 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -55.14 -59.22 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.855 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.843 -179.788 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.74 0.305 . . . . 54.23 111.076 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.62 ' CB ' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -68.15 -22.77 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.176 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -41.99 -51.59 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 64.15 110.907 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.0 t -61.98 94.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 62.34 110.897 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -46.72 -28.54 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 61.45 110.887 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 16.5 m -47.52 -33.28 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 51.04 110.847 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -56.4 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.88 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -45.06 -49.73 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 74.11 111.111 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.847 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 13.1 p30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.587 0.708 . . . . 71.32 110.898 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . 0.745 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.7 Cg_endo -69.74 -24.27 29.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 64.13 112.376 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.941 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.897 0.379 . . . . 74.43 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' A' ' 11' ' ' VAL . 4.8 t80 -49.26 -26.0 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.89 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.93 -57.71 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.932 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -52.34 -50.73 61.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.789 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 45.0 t80 -56.45 -70.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 63.13 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.471 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -46.57 -45.66 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 62.11 111.155 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.443 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.12 -47.15 72.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 74.24 111.117 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.5 HG21 ' O ' ' A' ' 28' ' ' ARG . 15.5 m -58.42 -53.26 60.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 73.53 111.158 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.566 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.0 tp -56.38 -53.98 51.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 72.2 110.897 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.81 -55.86 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.893 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 t -59.63 -31.48 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 73.01 110.848 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.804 ' O ' HD22 ' A' ' 20' ' ' LEU . 14.0 t80 -51.42 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 70.25 110.892 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -61.22 -37.07 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 75.15 110.914 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.97 -14.97 10.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 64.51 110.857 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.804 HD22 ' O ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.924 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.679 ' N ' HD11 ' A' ' 20' ' ' LEU . 3.9 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.837 0.351 . . . . 74.02 111.128 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 t -126.43 113.27 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.887 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.73 -56.53 23.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 70.41 112.484 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -44.38 -47.83 9.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 71.03 110.857 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' HG21 ' A' ' 13' ' ' THR . 10.3 mpt_? -54.83 -56.05 23.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.875 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.437 ' HA ' HD12 ' A' ' 32' ' ' LEU . 55.8 mt -49.44 -44.49 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 70.24 111.144 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.608 ' O ' HG22 ' A' ' 34' ' ' THR . 29.8 mttt -56.04 -57.11 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 74.33 110.911 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -50.61 -49.2 57.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.92 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 29' ' ' ILE . 4.0 mt -57.81 -51.4 69.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 60.42 110.943 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.403 ' HA ' HG12 ' A' ' 72' ' ' ILE . 4.0 m -56.69 -70.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.089 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.7 t -44.39 -44.65 8.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 64.43 111.115 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.467 ' N ' HG23 ' A' ' 34' ' ' THR . 20.3 t80 -58.02 -56.85 16.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.902 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.687 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.78 -57.8 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 63.53 111.094 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.671 HD11 ' CB ' ' A' ' 75' ' ' ALA . 1.3 mp -56.75 -48.72 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.15 110.92 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.4 -26.81 54.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.859 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.621 ' CB ' HD11 ' A' ' 42' ' ' ILE . 45.7 m-70 -129.66 83.76 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.862 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.53 HG22 HG22 ' A' ' 93' ' ' THR . 19.1 mm -78.4 -0.6 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.143 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -90.92 20.68 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 61.42 110.892 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.621 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.4 pt -149.45 27.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 55.12 111.11 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.3 OUTLIER -58.2 -33.96 69.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.894 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 16.2 t -59.01 -72.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.887 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.517 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -48.54 -45.99 38.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 72.03 110.902 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.789 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 50.7 mt -56.95 -69.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 71.41 111.134 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.799 HD12 HD11 ' A' ' 101' ' ' LEU . 34.9 mm -48.75 -47.4 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.114 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -57.82 -43.54 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.905 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.527 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.4 tp -57.59 -67.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.077 -0.51 . . . . 62.15 110.902 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.595 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.0 pt -44.79 -46.07 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 74.1 111.063 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.631 HD13 HG21 ' A' ' 104' ' ' VAL . 64.5 mt -56.34 -54.84 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 64.4 111.124 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -42.86 83.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.41 110.868 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.778 ' HA ' HD12 ' A' ' 56' ' ' LEU . 3.3 t80 -56.61 -38.43 72.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.896 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.683 ' OG ' HD22 ' A' ' 108' ' ' LEU . 27.0 p -63.66 -68.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 45.44 110.87 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.01 -26.96 63.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 75.32 110.891 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 53' ' ' TYR . 4.4 mt -42.38 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 64.44 110.901 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.692 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -94.86 169.93 8.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 71.31 110.91 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.497 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.4 Cg_endo -69.81 -158.08 0.05 OUTLIER 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.65 2.233 . . . . 64.44 112.383 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -29.53 -54.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 74.11 110.883 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' ASP . 10.7 p -34.09 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 64.04 110.904 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.692 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 4.6 m170 -60.65 -38.95 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 61.13 110.861 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -45.83 -61.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 71.33 110.859 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.423 ' HG ' HD11 ' A' ' 24' ' ' ILE . 23.1 tp -57.5 -56.98 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.902 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.22 -60.78 5.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.682 -0.771 . . . . 45.3 112.506 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.1 -47.96 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 52.33 110.843 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.668 HD22 ' CD2' ' A' ' 127' ' ' LEU . 1.3 mt -49.12 -50.44 37.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 52.44 110.937 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -56.27 -49.59 73.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.935 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.566 HD13 ' CD1' ' A' ' 14' ' ' LEU . 45.2 mt -56.88 -56.29 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 73.53 111.121 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.554 HG12 HD12 ' A' ' 50' ' ' ILE . 13.7 mt -56.51 -35.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 62.41 111.115 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.438 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -56.82 -55.66 31.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.867 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -55.88 28.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 55.04 110.852 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 33' ' ' THR . 74.9 mt -55.37 -45.89 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 70.22 111.134 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.13 -57.95 16.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.734 . . . . 63.42 112.481 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.31 -55.98 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 71.41 110.878 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.671 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -55.88 -53.21 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 64.01 111.072 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.687 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.3 m-30 -53.03 -47.11 68.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 71.54 110.875 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.487 ' HA ' HD11 ' A' ' 98' ' ' ILE . 2.6 tp -54.82 -53.78 50.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 73.13 110.924 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.2 -39.63 69.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 60.2 110.908 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.88 -66.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 63.43 110.846 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.4 t -55.71 -51.35 67.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 62.21 111.143 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' H ' HG23 ' A' ' 80' ' ' THR . 4.5 ptm180 -55.61 -29.75 59.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.906 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.11 -32.67 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.4 110.808 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -128.47 -63.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 64.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -168.86 159.15 9.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 52.35 110.885 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.52 110.878 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.139 0 CA-C-O 120.852 0.272 . . . . 41.34 112.342 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.44 -39.52 0.1 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 74.21 112.52 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.53 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -158.79 -177.38 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 71.23 111.113 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -41.17 -54.54 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 64.41 110.916 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.3 -66.3 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 50.33 111.118 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 38.5 m170 -51.67 -36.46 46.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 94' ' ' CYS . . . -55.48 -61.42 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 44.23 111.089 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' A' ' 77' ' ' LEU . 68.3 mt -52.34 -42.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 63.43 111.126 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -56.03 -53.56 55.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 54.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 m -55.48 -55.2 34.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.51 111.13 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.799 HD11 HD12 ' A' ' 47' ' ' ILE . 44.0 mt -51.26 -56.13 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 74.04 110.895 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.09 -14.85 26.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 34.05 112.482 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.569 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -94.15 -8.56 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 75.11 110.866 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.631 HG21 HD13 ' A' ' 51' ' ' ILE . 3.9 m -123.89 -14.64 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.24 111.119 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.845 HG13 HD12 ' A' ' 109' ' ' LEU . 2.4 tp -49.63 -30.26 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 72.23 111.134 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.57 -71.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.897 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -56.41 -39.9 73.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 64.12 110.873 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.683 HD22 ' OG ' ' A' ' 54' ' ' SER . 29.1 mt -56.78 -74.39 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.896 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.845 HD12 HG13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -51.21 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.952 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.4 p -35.56 -58.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 54.34 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -56.19 -51.97 66.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 62.21 110.86 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.65 -58.9 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 42.42 111.072 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.638 HG12 HG21 ' A' ' 124' ' ' ILE . 3.1 mt -53.0 -51.95 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 64.4 111.142 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.45 -68.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 63.4 111.116 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -47.97 -50.82 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.845 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 4.3 m -50.54 153.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 54.34 110.877 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -94.92 -169.91 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 62.32 110.916 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.642 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.6 tt0 -49.13 -51.66 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -62.94 -64.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 73.43 110.866 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 116' ' ' SER . 14.6 m170 -49.38 -59.64 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.857 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.642 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.2 OUTLIER -45.81 -38.57 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 72.33 110.895 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -45.77 92.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 51.35 110.898 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -58.12 -48.75 79.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 62.42 110.861 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.638 HG21 HG12 ' A' ' 113' ' ' ILE . 64.5 mt -56.75 -48.58 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 70.43 111.153 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -52.78 40.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.84 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -47.99 76.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.05 110.866 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.668 ' CD2' HD22 ' A' ' 66' ' ' LEU . 21.0 tp -54.61 -45.6 73.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.558 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -55.93 -48.95 74.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 70.55 110.948 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.6 -48.89 71.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.852 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.3 mt -57.81 -41.34 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.32 111.12 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.419 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 33.2 m0 -54.88 -58.26 8.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.963 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -55.47 -52.7 62.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.829 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -54.84 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.879 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.1 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 71.35 110.9 -179.842 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.749 0.309 . . . . 74.2 111.079 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.813 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.96 -23.38 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 71.31 111.103 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -45.76 -51.09 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 71.2 110.831 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 33.2 t -67.34 108.19 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 55.03 110.85 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -50.19 -24.89 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 65.1 110.908 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 42.2 t -48.69 -31.31 6.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -54.9 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.867 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -47.83 -46.78 31.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 71.2 111.093 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 28.5 mmm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.3 110.917 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 5.6 p30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.645 0.736 . . . . 74.44 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . 0.483 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.4 Cg_endo -69.85 -15.37 36.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 72.35 112.326 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 11.5 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.935 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.848 0.356 . . . . 74.42 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -47.77 -27.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 74.5 110.9 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -50.01 -56.53 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 75.12 110.932 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.32 -52.51 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.32 110.861 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 33.1 t80 -55.53 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.6 -45.01 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 51.52 111.116 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.425 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.08 -49.46 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 53.22 111.088 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.49 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.8 m -57.4 -53.71 55.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 72.53 111.14 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 14' ' ' LEU . 11.6 tp -56.48 -52.62 64.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 70.02 110.919 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.17 -57.15 7.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.859 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -55.5 -32.03 62.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 63.34 110.892 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.553 ' CE1' HD13 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -58.4 -61.58 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.876 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -55.41 -35.47 65.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 62.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -57.11 -23.1 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 74.44 110.889 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.945 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.553 HD13 ' CE1' ' A' ' 17' ' ' PHE . 10.3 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.878 0.37 . . . . 50.14 111.164 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.66 124.44 37.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.833 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.61 -37.79 69.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.772 -0.728 . . . . 71.42 112.459 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 t -51.17 -43.89 61.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 72.55 110.851 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.49 ' O ' HG21 ' A' ' 13' ' ' THR . 8.5 mpt_? -54.63 -63.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 72.42 110.9 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 32' ' ' LEU . 79.0 mt -50.32 -40.89 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.02 111.163 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.668 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.52 -59.41 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.912 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -51.83 -47.06 64.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.903 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 29' ' ' ILE . 6.6 mt -57.61 -53.79 54.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 71.41 110.903 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.404 HG23 ' HA ' ' A' ' 72' ' ' ILE . 7.6 m -57.6 -71.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 72.44 111.122 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.1 t -40.82 -44.97 2.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 61.31 111.163 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.485 ' N ' HG23 ' A' ' 34' ' ' THR . 24.3 t80 -59.39 -57.42 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.862 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.668 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.15 -57.33 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 54.34 111.079 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.868 HD21 ' HB1' ' A' ' 75' ' ' ALA . 2.3 mp -56.6 -47.43 79.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 73.51 110.97 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.44 -25.18 49.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 52.32 110.851 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.669 ' HB3' HD11 ' A' ' 42' ' ' ILE . 2.5 t-160 -131.42 85.31 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 54.44 110.85 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 40' ' ' ILE . 25.4 mm -80.06 2.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 61.14 111.13 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.83 19.65 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 73.44 110.868 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.669 HD11 ' HB3' ' A' ' 39' ' ' HIS . 2.7 pt -149.85 35.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.44 111.143 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.716 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.7 pp20? -59.36 -38.0 79.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 71.42 110.851 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 t -57.52 -74.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 63.31 110.854 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.573 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -44.17 -48.65 9.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 65.24 110.923 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.8 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 90.0 mt -56.4 -73.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.24 111.138 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.727 HD12 HD11 ' A' ' 101' ' ' LEU . 42.2 mm -44.78 -49.34 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.03 111.147 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 m -56.99 -43.39 81.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 61.43 110.828 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.536 HD23 ' CE2' ' A' ' 10' ' ' PHE . 17.8 tp -57.26 -67.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.562 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.0 pt -46.44 -45.75 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 74.44 111.134 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.445 HD12 HG22 ' A' ' 47' ' ' ILE . 70.9 mt -55.23 -59.3 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 63.4 111.168 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -51.09 70.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 63.43 110.85 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -48.55 -38.85 21.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.919 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.565 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 11.2 p -62.38 -74.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 74.52 110.875 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.565 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.6 ptt85 -44.48 -34.21 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 71.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 53' ' ' TYR . 34.3 mt -62.87 -78.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.916 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.456 ' HB2' ' HB3' ' A' ' 61' ' ' HIS . 60.1 m -47.78 149.35 2.28 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.643 0.735 . . . . 61.11 110.882 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.9 Cg_endo -69.77 -152.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 74.13 112.307 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -37.77 -45.39 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.925 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -43.86 -41.95 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 70.31 110.82 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.535 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -58.11 -47.03 84.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.833 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.636 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.7 mtmp? -41.72 -68.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 65.41 110.894 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.537 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 9.0 tp -60.32 -60.66 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.952 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.18 -73.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.676 -0.773 . . . . 55.22 112.489 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.542 ' O ' HD12 ' A' ' 69' ' ' ILE . 46.7 t -36.89 -59.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 74.11 110.902 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.679 ' CD2' HD23 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -41.42 -54.32 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 54.32 110.894 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 11.0 m-85 -57.39 -46.83 83.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.948 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.5 mt -55.6 -55.69 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 72.51 111.116 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 65' ' ' SER . 2.9 mt -55.96 -37.38 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.34 111.16 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -58.23 -56.11 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 74.33 110.888 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.2 p -55.82 -64.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.875 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.404 ' HA ' HG23 ' A' ' 33' ' ' THR . 62.1 mt -51.99 -45.83 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 74.01 111.14 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.63 -62.19 6.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.747 -0.74 . . . . 72.21 112.479 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -49.11 -55.1 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 70.21 110.816 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.868 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -54.91 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.52 111.089 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.685 ' O ' HG22 ' A' ' 80' ' ' THR . 2.4 m-30 -47.18 -50.07 21.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.922 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.789 HD22 HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -51.49 -63.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.938 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -40.49 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.887 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.63 ' HG3' HD23 ' A' ' 37' ' ' LEU . 9.6 mm-40 -55.2 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 72.4 110.882 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.6 t -55.16 -36.18 65.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 70.55 111.136 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -55.44 -41.57 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 63.12 110.855 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -51.29 -29.69 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.866 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -108.13 -76.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.911 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t 179.92 139.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 63.25 110.863 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.33 110.933 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.137 0 CA-C-O 120.822 0.259 . . . . 74.44 112.388 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.32 -29.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 52.43 112.467 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.521 ' HA ' HG22 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -147.69 -178.46 6.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 55.22 111.189 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 68.0 m -48.41 -43.97 34.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 70.53 110.925 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' CYS . . . -37.54 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 52.4 111.08 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -52.14 -38.8 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.858 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -53.1 -57.38 10.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 52.5 111.134 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.789 HD13 HD22 ' A' ' 77' ' ' LEU . 63.8 mt -56.34 -48.75 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 64.51 111.147 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -56.36 -56.64 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.872 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.407 ' O ' HG13 ' A' ' 104' ' ' VAL . 54.1 m -51.15 -55.01 19.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 70.1 111.153 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.727 HD11 HD12 ' A' ' 47' ' ' ILE . 37.5 mt -50.03 -57.95 6.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 71.11 110.927 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.28 -14.13 32.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 44.24 112.522 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.521 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -90.68 -13.85 33.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 55.31 110.901 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.521 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.1 m -118.44 -20.8 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 65.42 111.112 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.817 HG13 HD12 ' A' ' 109' ' ' LEU . 2.2 tp -50.87 -29.39 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 35.05 111.138 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.459 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.56 -69.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.04 110.934 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -56.16 -39.51 72.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 105' ' ' ILE . 84.2 mt -55.06 -69.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 64.42 110.906 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.817 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -55.39 -63.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 61.33 110.871 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 109' ' ' LEU . 78.0 p -36.64 -67.07 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.87 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.19 -45.08 61.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 75.35 110.841 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.504 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.55 -59.73 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 60.41 111.084 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.7 mt -50.9 -48.28 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 52.13 111.128 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.08 -69.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 73.35 111.124 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -30.32 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.913 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -68.6 147.58 51.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.861 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -94.47 -167.6 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 43.25 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.623 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.5 tt0 -50.5 -51.63 45.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 55.22 110.919 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.82 -62.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -50.67 -59.95 3.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 72.11 110.856 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.623 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -46.53 -37.86 8.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 72.15 110.843 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -46.51 89.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.874 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -58.14 -51.49 69.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 61.12 110.897 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.62 HG12 HD13 ' A' ' 66' ' ' LEU . 48.9 mt -56.24 -49.95 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.42 111.141 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -52.32 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.887 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.18 -51.47 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 65.25 110.86 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.679 HD23 ' CD2' ' A' ' 66' ' ' LEU . 50.9 tp -52.66 -44.34 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 60.52 110.92 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.755 HD11 HG13 ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.53 -50.63 71.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.902 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.58 -50.38 60.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 70.03 110.867 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.4 mt -57.0 -42.87 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 62.03 111.197 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.41 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 41.8 m0 -54.03 -53.11 57.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.956 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.18 -54.44 45.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 71.31 110.914 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -55.72 -74.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 70.34 110.833 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.7 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.872 -179.731 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.774 0.321 . . . . 74.34 111.122 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.755 HG13 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.9 -24.79 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 75.31 111.107 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -40.63 -51.38 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.896 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.2 p -58.23 99.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 65.11 110.874 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -45.13 -32.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 71.42 110.889 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 49.8 t -44.73 -31.52 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 70.33 110.899 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -58.45 -95.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 65.23 110.922 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -38.52 -41.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 41.21 111.11 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 34.9 mmm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 65.22 110.894 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . 0.408 ' OD1' ' HD2' ' B' 1009 ' ' PRO . 2.2 t-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.616 0.722 . . . . 54.33 110.877 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . 0.485 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.9 Cg_endo -69.78 -23.18 31.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.254 . . . . 71.13 112.354 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 26.4 p90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 63.21 110.924 -179.885 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.828 0.347 . . . . 64.51 110.894 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -48.19 -27.32 2.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -50.2 -56.81 9.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 72.13 110.916 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -53.55 -52.14 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 73.03 110.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.802 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 37.9 t80 -56.18 -68.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.903 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.43 -45.76 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.146 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.436 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -52.66 -51.17 61.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.03 111.095 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 28' ' ' ARG . 28.7 m -57.37 -52.99 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 61.31 111.169 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 15.8 tp -55.36 -54.68 40.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 71.13 110.916 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.78 -56.58 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.903 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 t -56.15 -30.91 62.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 63.25 110.82 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.426 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -56.1 -64.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 63.24 110.899 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -56.5 -37.16 70.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.943 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -55.75 -26.65 46.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.875 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 17' ' ' PHE . 17.8 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.923 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.477 HD11 HD23 ' A' ' 63' ' ' LEU . 4.1 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.836 0.351 . . . . 72.35 111.111 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.12 115.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.51 110.855 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.88 -50.18 51.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 73.12 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -49.29 -52.57 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 74.3 110.817 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.533 ' O ' HG21 ' A' ' 13' ' ' THR . 3.4 mpt_? -55.37 -64.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.922 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 32' ' ' LEU . 96.9 mt -47.91 -42.58 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.41 111.152 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.66 ' O ' HG22 ' A' ' 34' ' ' THR . 23.8 mtmt -55.38 -56.79 16.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 72.41 110.927 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -51.73 -47.72 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.35 110.926 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD23 ' CD1' ' A' ' 10' ' ' PHE . 8.3 mt -57.77 -52.45 65.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 61.53 110.907 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' ' 72' ' ' ILE . 7.3 m -57.32 -71.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 50.42 111.131 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.4 t -41.8 -44.91 3.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.168 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.465 ' N ' HG23 ' A' ' 34' ' ' THR . 21.4 t80 -58.25 -55.8 30.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.915 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.694 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.61 -57.38 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 74.24 111.12 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.691 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.5 mp -57.38 -46.7 83.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 61.01 110.923 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.38 -28.07 40.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 75.45 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.685 ' CB ' HD11 ' A' ' 42' ' ' ILE . 27.9 m-70 -130.6 85.05 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.877 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 40' ' ' ILE . 45.9 mm -76.37 -1.43 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.41 111.158 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -92.72 26.23 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.872 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.687 HG22 ' CE ' ' A' ' 45' ' ' LYS . 1.8 pt -155.15 32.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.53 111.126 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -62.84 -42.06 99.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.906 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.4 t -51.67 -69.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 44.4 110.881 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.687 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.82 -49.03 50.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.845 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.802 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 82.9 mt -55.16 -69.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 70.4 111.155 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.754 HD12 HD11 ' A' ' 101' ' ' LEU . 42.3 mm -45.84 -49.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 64.03 111.134 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -56.48 -41.92 77.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 54.51 110.854 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.521 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.2 tp -58.16 -66.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 61.21 110.942 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.8 pt -47.64 -44.25 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 73.44 111.109 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.5 mt -55.47 -62.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 52.0 111.138 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.02 -48.61 75.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.849 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.458 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -51.43 -38.81 55.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.918 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.584 ' OG ' HD22 ' A' ' 108' ' ' LEU . 12.9 p -62.7 -72.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 54.2 110.823 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.553 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -43.35 -34.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 63.44 110.891 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 53' ' ' TYR . 27.3 mt -57.68 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.924 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.566 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -51.3 141.09 22.6 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.624 0.726 . . . . 64.13 110.892 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -98.82 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.672 2.248 . . . . 74.24 112.355 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.6 OUTLIER -68.63 -53.39 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.903 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER -38.14 -50.08 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.863 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.48 -52.04 67.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.842 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.643 ' O ' HD12 ' A' ' 66' ' ' LEU . 7.1 mtmp? -36.05 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.925 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 24' ' ' ILE . 8.3 tp -62.68 -55.83 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.53 110.897 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -49.48 -78.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.721 . . . . 50.31 112.459 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' GLY . 32.0 t -36.75 -56.85 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 74.54 110.905 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 62' ' ' LYS . 5.5 mt -41.5 -56.38 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 73.02 110.917 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.402 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 7.2 m-85 -57.05 -45.65 83.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.914 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.6 mt -55.76 -56.13 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 54.31 111.109 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.6 mt -55.87 -36.99 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 63.22 111.139 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.432 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -58.3 -56.7 18.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.888 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -55.35 -63.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 72.33 110.877 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.408 ' HA ' HG23 ' A' ' 33' ' ' THR . 61.8 mt -52.5 -44.19 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 64.1 111.128 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.71 -61.41 7.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 42.24 112.501 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -53.69 21.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 70.52 110.865 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.691 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -56.22 -59.6 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.12 111.08 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.694 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.6 m-30 -49.16 -49.26 43.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 73.45 110.946 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.7 tp -52.07 -60.92 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 70.21 110.925 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -41.2 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.851 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.59 ' HG3' HD23 ' A' ' 37' ' ' LEU . 9.8 mm-40 -55.28 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.867 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 76' ' ' TYR . 4.9 t -54.97 -42.7 72.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 65.33 111.156 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -55.49 -35.39 65.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.04 110.867 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.6 t -50.99 -38.05 48.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.895 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -114.37 -75.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -170.11 163.81 9.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.12 110.871 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.896 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.113 0 CA-C-O 120.796 0.248 . . . . 62.22 112.374 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.39 -33.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 71.11 112.484 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.475 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -137.21 162.86 32.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 54.55 111.119 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' THR . 3.4 m -34.39 -57.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 61.04 110.842 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' CYS . . . -34.86 -72.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.15 111.14 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 3.3 t-80 -54.89 -42.05 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.871 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 43' ' ' GLU . . . -49.98 -58.03 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 63.32 111.124 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 71.9 mt -55.33 -47.44 77.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 72.34 111.131 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -55.8 -54.69 41.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.867 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.7 m -52.36 -55.87 18.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 73.3 111.165 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.754 HD11 HD12 ' A' ' 47' ' ' ILE . 41.2 mt -50.14 -58.41 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.911 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.59 -15.11 24.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 42.41 112.518 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -87.77 -12.28 45.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 74.53 110.922 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.574 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -122.31 -18.87 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 62.32 111.166 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.825 HG13 HD12 ' A' ' 109' ' ' LEU . 3.5 tp -49.19 -30.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 75.03 111.129 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.483 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -48.96 -69.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.45 110.868 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.38 -39.55 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.872 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.584 HD22 ' OG ' ' A' ' 54' ' ' SER . 50.0 mt -55.88 -71.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.917 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.825 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -53.9 -65.86 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 61.43 110.899 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 109' ' ' LEU . 88.1 p -34.81 -58.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 63.04 110.855 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -54.72 -55.18 32.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 73.51 110.904 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.487 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -48.12 -56.37 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.23 111.117 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.477 HG12 HG21 ' A' ' 124' ' ' ILE . 2.1 mt -55.46 -42.72 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.23 111.08 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.34 -69.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.13 111.106 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -55.23 -46.92 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 m -46.04 146.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 75.01 110.86 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -98.76 -171.86 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 65.11 110.943 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.611 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 6.9 mp0 -44.19 -51.97 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 62.33 110.941 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.66 -65.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 72.51 110.887 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.46 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 43.5 m170 -49.21 -60.46 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.835 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.63 -38.0 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.24 110.884 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -47.1 87.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 71.01 110.88 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -57.44 -50.28 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 63.15 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.554 HG12 HD13 ' A' ' 66' ' ' LEU . 17.0 mt -56.83 -49.26 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.138 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -50.52 -50.8 52.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.858 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.2 ttm -56.18 -51.5 67.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 60.15 110.903 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.492 HD13 ' HG3' ' B' 1009 ' ' PRO . 18.8 tp -53.67 -44.13 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 52.02 110.937 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.741 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.39 -49.58 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 63.34 110.91 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.31 -49.91 66.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.861 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.83 -42.47 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 71.14 111.149 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.608 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 17.1 m0 -55.25 -56.46 19.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.949 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -55.03 -53.21 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.886 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -54.27 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 61.44 110.897 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 71.0 110.848 -179.786 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.79 0.329 . . . . 61.44 111.094 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.741 ' CB ' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -63.45 -27.7 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.35 111.137 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.16 -54.66 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.883 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.2 t -53.58 102.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.85 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -48.3 -27.21 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 74.4 110.896 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 47.1 t -51.24 -30.17 16.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 70.21 110.898 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -55.09 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.02 110.851 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -48.72 -45.61 39.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 72.04 111.07 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 6.4 mmm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.882 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 39.3 t30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.636 0.732 . . . . 64.15 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . 0.492 ' HG3' HD13 ' A' ' 127' ' ' LEU . 53.8 Cg_endo -69.73 -8.44 23.62 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 62.44 112.347 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 62.33 110.897 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.881 0.372 . . . . 62.12 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.499 ' CE2' HG23 ' A' ' 11' ' ' VAL . 3.6 t80 -48.05 -26.45 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 73.51 110.883 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -46.71 -57.28 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 63.22 110.919 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -53.18 -51.71 61.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.886 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.755 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 33.3 t80 -55.9 -70.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 65.41 110.853 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.499 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -47.32 -44.93 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 54.05 111.108 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.19 -49.03 67.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 70.23 111.094 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.531 HG21 ' O ' ' A' ' 28' ' ' ARG . 23.7 m -57.8 -53.02 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 45.31 111.148 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HA ' HD12 ' A' ' 14' ' ' LEU . 11.9 tp -56.2 -53.4 57.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.911 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.07 -59.72 3.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.898 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 t -57.28 -29.18 63.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 60.32 110.868 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.935 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -54.99 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 75.13 110.907 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -57.83 -36.17 71.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 73.55 110.905 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.2 -14.58 11.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 74.53 110.865 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 63.43 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.413 ' N ' HD11 ' A' ' 20' ' ' LEU . 3.2 mp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.876 0.369 . . . . 42.32 111.117 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -158.96 110.73 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.888 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.21 -53.33 35.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 75.13 112.487 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m -46.46 -53.18 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 64.32 110.836 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.531 ' O ' HG21 ' A' ' 13' ' ' THR . 10.0 mpt_? -54.18 -59.01 5.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 72.05 110.889 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.438 ' HA ' HD12 ' A' ' 32' ' ' LEU . 58.5 mt -49.53 -43.02 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 61.43 111.127 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.626 ' O ' HG22 ' A' ' 34' ' ' THR . 16.3 mttt -55.53 -59.75 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 70.34 110.876 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -48.22 52.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 62.43 110.896 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.513 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.4 mt -57.9 -53.05 62.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.916 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.8 m -57.27 -71.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 71.21 111.122 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.5 t -41.45 -44.95 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 52.45 111.138 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.491 ' N ' HG23 ' A' ' 34' ' ' THR . 20.6 t80 -58.98 -56.77 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 63.31 110.938 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.59 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.53 -57.61 5.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 73.31 111.094 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.816 HD21 ' HB1' ' A' ' 75' ' ' ALA . 2.7 mp -57.33 -48.55 78.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.942 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -57.05 -24.08 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.859 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.611 ' CB ' HD11 ' A' ' 42' ' ' ILE . 34.7 m80 -132.95 84.56 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.847 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.574 ' CG2' HG22 ' A' ' 93' ' ' THR . 21.7 mm -78.05 -2.29 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 53.42 111.153 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -89.26 24.86 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.874 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.657 HG22 ' CE ' ' A' ' 45' ' ' LYS . 1.4 pt -152.31 29.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.13 111.164 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.5 pp20? -57.94 -37.36 73.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 75.24 110.9 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -57.78 -73.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 44.23 110.853 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.657 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.77 -46.24 20.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.24 110.955 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.755 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 85.2 mt -56.56 -71.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.54 111.136 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.762 HD12 HD11 ' A' ' 101' ' ' LEU . 40.1 mm -47.55 -47.69 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.131 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.9 m -57.16 -43.6 82.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.844 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.506 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.4 tp -57.78 -67.97 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 75.54 110.948 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.59 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.9 pt -44.89 -45.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 61.42 111.177 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.35 -55.81 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 54.43 111.133 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -42.75 80.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 51.31 110.89 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.755 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.8 t80 -56.6 -38.75 72.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.915 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.589 ' OG ' HD22 ' A' ' 108' ' ' LEU . 37.2 p -63.4 -70.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 75.34 110.903 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.488 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -56.42 -26.69 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 74.13 110.861 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 53' ' ' TYR . 4.3 mt -44.05 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 74.3 110.924 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.685 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -94.33 169.49 9.69 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.603 0.716 . . . . 61.43 110.878 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.5 Cg_endo -69.77 -157.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 70.21 112.316 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' PRO . 56.7 t0 -30.02 -53.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.852 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' ASP . 65.5 m -34.0 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 71.11 110.89 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.685 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 7.2 m170 -59.89 -36.84 77.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 53.32 110.833 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.0 mmtt -47.71 -66.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 71.04 110.899 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.3 tp -52.36 -56.89 11.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 54.24 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.33 -46.59 35.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 62.14 112.46 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -53.55 56.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 61.14 110.86 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.648 HD12 HG12 ' A' ' 124' ' ' ILE . 6.6 mt -44.74 -51.83 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 75.2 110.926 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -57.14 -50.07 73.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 62.33 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.1 mt -57.13 -55.44 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 64.01 111.156 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -56.7 -35.39 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.51 111.097 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -56.65 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.831 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -57.27 13.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 63.02 110.892 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.5 -45.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.21 111.133 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.48 -60.55 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 75.21 112.452 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -49.61 -54.35 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 72.41 110.863 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.816 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -55.67 -59.34 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.42 111.126 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.59 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.2 m-30 -49.26 -48.69 45.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 71.51 110.916 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' HA ' HD11 ' A' ' 98' ' ' ILE . 5.8 tp -52.83 -61.4 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 72.01 110.917 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.64 -40.36 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.895 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.648 ' HG3' HD23 ' A' ' 37' ' ' LEU . 14.6 mm-40 -55.18 -72.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.898 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.0 t -55.38 -42.98 74.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 45.4 111.157 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -53.98 -37.09 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 62.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -51.9 -29.84 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 54.52 110.845 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -116.34 -75.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 75.43 110.884 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.56 139.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.892 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.885 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.119 0 CA-C-O 120.829 0.262 . . . . 75.11 112.315 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.26 -43.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 72.54 112.453 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.574 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -157.79 -174.99 5.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 51.04 111.118 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.436 ' SG ' HD12 ' A' ' 40' ' ' ILE . 98.0 m -44.58 -36.81 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.847 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.27 -70.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.079 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -54.02 -37.22 63.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.7 -56.12 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 62.42 111.092 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' A' ' 77' ' ' LEU . 73.9 mt -56.17 -51.5 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.22 111.11 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -56.67 -57.38 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.922 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 55.3 m -48.78 -57.78 5.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 72.12 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.762 HD11 HD12 ' A' ' 47' ' ' ILE . 54.1 mt -49.69 -59.23 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 64.21 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.87 -15.07 26.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 64.33 112.465 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.559 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -88.96 -13.31 39.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 72.34 110.841 -179.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.559 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.0 m -120.58 -18.55 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 64.14 111.155 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.5 tp -50.45 -29.16 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.4 111.171 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.933 ' HA ' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -51.95 -71.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 55.11 110.918 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.72 -40.21 75.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 63.23 110.866 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.589 HD22 ' OG ' ' A' ' 54' ' ' SER . 31.5 mt -54.09 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.934 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.046 HD22 HD11 ' A' ' 128' ' ' LEU . 4.9 mt -55.12 -71.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.901 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 73.3 p -35.52 -57.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 54.11 110.851 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -54.57 -52.67 61.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 74.41 110.856 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.23 -49.92 40.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 72.55 111.147 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 109' ' ' LEU . 3.0 mt -56.1 -50.41 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 61.23 111.141 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.504 ' HB3' ' HE2' ' A' ' 115' ' ' LYS . . . -57.33 -62.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 73.43 111.099 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -55.34 -24.23 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.882 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.5 m -85.05 159.58 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.872 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.47 -175.76 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.864 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.599 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 41.7 tt0 -42.22 -51.14 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.909 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.2 -71.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 64.15 110.921 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -46.49 -59.12 3.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -44.96 -38.94 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.913 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -62.32 -44.02 97.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 75.34 110.854 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -57.67 -47.84 81.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.865 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.648 HG12 HD12 ' A' ' 66' ' ' LEU . 55.5 mt -58.66 -46.69 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.51 111.121 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.12 -57.17 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.863 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.6 ptm -56.93 -40.67 76.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 71.05 110.904 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.511 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 43.2 tp -54.17 -52.69 60.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 61.44 110.918 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 1.046 HD11 HD22 ' A' ' 109' ' ' LEU . 8.0 mt -55.83 -45.29 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.915 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -52.95 -51.41 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.842 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.08 -40.26 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 70.43 111.138 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.511 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 37.6 m0 -53.18 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.924 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.9 -37.41 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 41.41 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -55.87 -64.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.859 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.88 -179.804 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.933 ' HB2' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.325 . . . . 73.42 111.123 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.71 HG21 HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -66.82 -27.79 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 62.12 111.203 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 145' ' ' ILE . 5.8 ttt180 -34.67 -54.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 70.45 110.893 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 91.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 70.23 110.873 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.39 -34.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 71.35 110.933 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 1.8 t -44.4 -34.51 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.866 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 151' ' ' ALA . 18.8 m-85 -58.96 -94.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 64.13 110.879 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 150' ' ' PHE . . . -34.58 -45.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 42.35 111.099 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.883 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.57 0.7 . . . . 73.12 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -14.85 36.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 72.11 112.338 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.15 110.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.528 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.844 0.354 . . . . 73.21 110.868 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CE2' HG23 ' A' ' 11' ' ' VAL . 1.3 t80 -56.23 -14.09 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.893 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -53.26 -68.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 72.2 110.938 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 6' ' ' ASP . 8.0 p30 -52.68 -47.84 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.858 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.76 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 52.3 t80 -53.59 -70.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 75.24 110.9 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.54 HG23 ' CE2' ' A' ' 7' ' ' PHE . 1.2 t -51.43 -43.13 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 64.23 111.122 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.438 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.99 -48.09 70.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 34.43 111.109 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.551 HG21 ' O ' ' A' ' 28' ' ' ARG . 29.4 m -57.73 -53.29 59.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 64.31 111.126 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' CD1' HD13 ' A' ' 68' ' ' ILE . 14.2 tp -55.55 -50.92 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 63.13 110.911 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.91 -53.72 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 64.51 110.929 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -57.7 -30.39 65.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 55.35 110.862 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.687 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -58.08 -61.46 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.839 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' CB ' ' CE1' ' A' ' 61' ' ' HIS . 12.8 pttt -54.35 -36.83 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 73.21 110.928 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.14 -28.11 56.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 61.15 110.882 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 17' ' ' PHE . 14.2 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.94 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.687 HG23 ' CZ ' ' A' ' 17' ' ' PHE . 6.7 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.842 0.353 . . . . 54.11 111.07 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -100.33 127.43 46.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.843 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.77 -27.23 49.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 73.1 112.488 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.47 -54.2 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 71.52 110.865 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.551 ' O ' HG21 ' A' ' 13' ' ' THR . 10.4 mpt_? -50.56 -52.66 36.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.875 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.5 HG23 ' HA ' ' A' ' 68' ' ' ILE . 80.6 mt -50.99 -46.95 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 64.42 111.168 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' HG22 ' A' ' 34' ' ' THR . 17.3 mtmt -55.24 -52.1 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.878 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -51.22 -49.96 60.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 72.4 110.899 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.1 mt -58.16 -47.59 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.914 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.528 HG23 ' HA ' ' A' ' 72' ' ' ILE . 2.9 m -57.75 -69.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 72.4 111.168 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 35' ' ' TYR . 9.1 t -43.01 -45.11 4.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 33.45 111.163 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.471 ' N ' HG23 ' A' ' 34' ' ' THR . 13.8 t80 -58.16 -57.52 12.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 71.01 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.69 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.81 -56.86 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 73.31 111.105 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.55 HD23 ' HG3' ' A' ' 79' ' ' GLU . 3.9 mp -57.39 -47.81 80.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 62.05 110.917 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -56.31 -24.81 45.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.845 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.668 ' HB2' HD11 ' A' ' 42' ' ' ILE . 30.1 m-70 -132.89 85.11 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.854 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.522 HG22 HG22 ' A' ' 93' ' ' THR . 19.4 mm -77.99 -1.38 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 51.21 111.108 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -90.41 21.57 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 44.3 110.918 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.4 pt -149.27 27.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 60.03 111.091 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.699 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.6 pm0 -57.18 -35.69 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.892 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.4 t -58.65 -73.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.3 110.838 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.46 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.18 -46.63 23.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.921 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.76 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 68.7 mt -55.98 -72.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.05 111.127 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.709 HD12 HD11 ' A' ' 101' ' ' LEU . 40.8 mm -47.39 -45.05 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 63.54 111.11 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -59.19 -43.09 92.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 70.22 110.838 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.33 -65.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 42.25 110.915 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.58 HD12 HG12 ' A' ' 69' ' ' ILE . 6.8 pt -48.05 -46.38 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.3 111.132 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.434 HD12 HG22 ' A' ' 47' ' ' ILE . 74.6 mt -56.68 -58.3 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 64.32 111.132 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.36 -47.8 75.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.831 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.743 ' HA ' HD12 ' A' ' 56' ' ' LEU . 3.0 t80 -54.2 -35.34 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.869 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 t -62.22 -75.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 54.23 110.848 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -26.52 59.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 63.1 110.878 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 53' ' ' TYR . 3.8 mt -40.99 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 72.14 110.89 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.657 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -94.32 170.16 8.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 53.21 110.903 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 59' ' ' ASP . 54.1 Cg_endo -69.73 -159.11 0.05 OUTLIER 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.694 2.263 . . . . 74.42 112.358 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -28.96 -53.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.883 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 59' ' ' ASP . 15.8 t -30.67 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.841 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.657 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.5 m80 -61.97 -47.16 86.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 71.05 110.904 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' A' ' 112' ' ' ALA . 11.4 mttp -34.2 -64.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 71.14 110.907 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 13.5 tp -57.91 -54.99 40.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.901 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.88 -59.14 7.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 74.51 112.475 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.8 p -48.75 -53.57 18.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 73.0 110.897 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.59 HD12 HG12 ' A' ' 124' ' ' ILE . 0.5 OUTLIER -43.18 -54.68 4.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.488 . . . . 53.53 110.944 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.543 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 13.8 m-85 -56.38 -48.85 76.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 72.32 110.917 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.5 ' HA ' HG23 ' A' ' 29' ' ' ILE . 8.2 mt -57.01 -56.44 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 74.3 111.152 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.58 HG12 HD12 ' A' ' 50' ' ' ILE . 56.0 mt -55.54 -37.01 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.084 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -56.22 -57.65 11.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.912 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 t -55.69 -54.15 47.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 63.11 110.835 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.528 ' HA ' HG23 ' A' ' 33' ' ' THR . 63.1 mt -55.09 -46.58 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 73.23 111.126 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.29 -57.82 16.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 72.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -55.99 12.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.21 110.893 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -56.13 -54.89 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.01 111.115 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.69 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.1 m-30 -51.26 -50.24 59.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.01 110.916 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp -51.27 -58.08 7.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 52.31 110.875 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -42.51 68.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.863 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.55 ' HG3' HD23 ' A' ' 37' ' ' LEU . 27.8 mm-40 -55.59 -71.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.884 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.2 t -54.48 -45.34 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.125 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.413 ' N ' HG23 ' A' ' 80' ' ' THR . 52.7 ttt180 -52.05 -37.66 54.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 70.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.21 -30.22 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 72.45 110.863 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -118.77 -76.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.23 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.8 t -168.85 158.45 8.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.818 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.1 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 64.1 110.867 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.444 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.3 Cg_endo . . . . . 0 C--O 1.23 0.116 0 CA-C-O 120.81 0.254 . . . . 61.44 112.315 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.555 ' O ' HG23 ' A' ' 93' ' ' THR . . . 177.54 -31.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 73.23 112.488 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 92' ' ' GLY . 0.6 OUTLIER -166.07 -175.22 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.299 . . . . 54.51 111.199 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.19 -52.02 7.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 73.54 110.887 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.62 -66.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.33 111.127 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 79.8 m-70 -52.65 -39.65 62.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 61.31 110.849 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.699 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -54.34 -58.01 9.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.149 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 68.3 mt -55.02 -45.08 76.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.25 111.163 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -55.82 -52.06 65.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.933 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.8 m -55.3 -51.96 65.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 71.21 111.114 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.709 HD11 HD12 ' A' ' 47' ' ' ILE . 40.2 mt -53.1 -56.68 14.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.914 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -57.83 -17.71 29.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 74.03 112.489 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.555 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -86.32 -14.4 43.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 73.41 110.851 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.555 HG13 ' HG2' ' A' ' 103' ' ' GLU . 4.3 m -117.36 -18.75 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.35 111.137 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.6 tp -51.99 -26.67 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.02 111.11 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.899 ' HA ' ' HB2' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -55.49 -72.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 54.22 110.918 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -56.16 -42.29 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.0 mt -55.11 -60.71 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 70.22 110.915 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.661 HD13 HD21 ' A' ' 128' ' ' LEU . 15.0 mt -53.79 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 54.21 110.899 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 109' ' ' LEU . 7.5 p -37.17 -63.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 54.43 110.906 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -49.39 -50.47 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 63.01 110.927 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.484 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -47.75 -56.91 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.51 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -49.08 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.158 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.19 -66.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 25.35 111.091 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -45.84 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.877 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.508 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 73.3 p -60.59 163.11 5.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.842 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.462 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.5 OUTLIER -100.1 178.06 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 74.44 110.877 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.611 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 0.9 OUTLIER -39.05 -52.63 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.92 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.89 -72.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 62.25 110.866 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.508 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 16.0 m170 -45.44 -58.66 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 64.11 110.859 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.52 -39.37 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 65.0 110.922 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -60.9 -44.55 96.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 70.12 110.893 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -57.17 -48.34 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 73.21 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.59 HG12 HD12 ' A' ' 66' ' ' LEU . 24.1 mt -56.91 -49.38 79.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 65.42 111.176 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -52.22 53.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.869 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.9 tpp -55.68 -49.53 72.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 52.45 110.904 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.637 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 20.7 tp -51.32 -45.73 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.891 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.661 HD21 HD13 ' A' ' 109' ' ' LEU . 5.2 mt -55.71 -49.01 74.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.948 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -51.08 62.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.818 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.8 mt -57.86 -44.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.44 111.141 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.637 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 17.6 m0 -51.22 -58.38 6.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.894 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.5 -47.25 76.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 72.25 110.908 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -55.27 -54.65 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 62.45 110.879 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.899 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.899 ' HB2' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.708 0.289 . . . . 71.45 111.078 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.652 HG21 HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -68.85 -21.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 71.33 111.143 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -39.09 -54.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.893 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 p -74.3 89.43 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 53.21 110.874 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -40.33 -38.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 72.55 110.943 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 4.0 m -39.18 -41.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.878 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -57.71 -87.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.847 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -43.5 -48.14 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 64.33 111.118 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 65.15 110.891 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.593 0.711 . . . . 75.41 110.936 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -7.68 21.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 51.35 112.382 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.927 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.86 0.362 . . . . 70.21 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -56.82 -32.85 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.54 110.899 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -57.59 -55.04 40.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.7 -53.43 54.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 53.3 110.861 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.767 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 32.9 t80 -54.59 -69.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 64.41 110.891 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -48.38 -45.42 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 51.3 111.147 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.427 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -51.44 -50.62 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.127 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 28' ' ' ARG . 28.1 m -56.69 -53.5 57.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 72.12 111.187 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 53' ' ' TYR . 9.8 tp -55.7 -53.62 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 44.43 110.87 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.04 -59.92 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 72.43 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -30.78 54.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 65.4 110.841 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -64.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 72.52 110.893 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -55.86 -36.52 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.84 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.02 -24.55 39.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 64.51 110.875 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 52.33 110.941 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.799 0.333 . . . . 74.15 111.132 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.17 124.67 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.86 -36.89 51.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 74.22 112.513 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -51.34 57.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 74.05 110.826 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.567 ' O ' HG21 ' A' ' 13' ' ' THR . 9.9 mpt_? -52.25 -62.45 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 75.33 110.863 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.49 ' HA ' HD12 ' A' ' 32' ' ' LEU . 56.3 mt -47.46 -42.87 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 65.22 111.119 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.653 ' O ' HG22 ' A' ' 34' ' ' THR . 16.4 mttt -56.4 -54.19 48.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.926 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -48.48 64.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 55.43 110.913 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.539 HD23 ' CD1' ' A' ' 10' ' ' PHE . 9.9 mt -57.57 -52.11 66.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.946 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.411 ' HA ' HG12 ' A' ' 72' ' ' ILE . 6.3 m -57.91 -71.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 52.02 111.1 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.6 t -41.33 -44.29 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 74.54 111.173 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' HG23 ' A' ' 34' ' ' THR . 13.7 t80 -58.68 -56.85 16.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.933 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.13 -56.64 8.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 72.03 111.091 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.745 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.3 mp -57.54 -47.42 82.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 62.13 110.931 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -57.16 -23.89 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.849 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.618 ' HB2' HD11 ' A' ' 42' ' ' ILE . 32.6 m170 -133.92 85.07 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.846 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.602 HG22 HG22 ' A' ' 93' ' ' THR . 21.5 mm -77.94 -2.84 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 63.11 111.134 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -88.82 23.49 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 44.23 110.867 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.618 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.6 pt -151.5 30.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.1 111.165 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.2 pp20? -58.04 -37.18 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.869 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.3 t -58.14 -73.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 65.43 110.847 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.567 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.69 -47.13 20.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 75.21 110.878 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.767 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 81.7 mt -55.96 -72.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 72.14 111.139 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.726 HD12 HD11 ' A' ' 101' ' ' LEU . 42.4 mm -46.84 -47.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.43 111.124 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 m -57.01 -42.23 79.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 71.52 110.855 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.451 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.2 tp -58.33 -65.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 62.01 110.929 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 47' ' ' ILE . 8.0 pt -49.16 -44.95 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 71.12 111.156 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.2 mt -55.71 -63.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 62.33 111.166 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.85 -48.4 75.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 70.31 110.883 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.466 ' CB ' HD21 ' A' ' 14' ' ' LEU . 1.5 t80 -51.24 -40.03 57.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.922 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.599 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 25.6 p -62.25 -77.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.907 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.561 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -41.61 -34.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 62.42 110.88 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' HG ' ' HD3' ' A' ' 55' ' ' ARG . 17.4 mt -58.36 -77.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.952 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.42 155.13 1.35 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 74.5 110.869 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -155.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.733 2.289 . . . . 71.41 112.353 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.475 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 5.8 p-10 -40.08 -47.07 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 70.02 110.888 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -44.11 -40.06 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 62.41 110.853 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.22 -47.23 84.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.845 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.523 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -45.01 -63.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.91 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.9 tp -61.3 -58.23 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.975 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.56 -70.93 0.71 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 73.13 112.484 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -39.06 -53.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 71.32 110.865 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.728 HD22 HD23 ' A' ' 127' ' ' LEU . 4.6 mt -43.89 -53.66 5.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 55.14 110.865 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -58.07 -48.87 78.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 72.51 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.8 mt -56.15 -59.56 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.14 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.9 mt -56.08 -33.07 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.155 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -58.11 -57.42 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 74.31 110.876 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -55.8 -57.0 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 63.42 110.888 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 33' ' ' THR . 62.0 mt -55.22 -45.57 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 52.22 111.132 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.61 -62.89 5.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 74.14 112.491 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 mtm105 -48.47 -54.32 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 75.32 110.882 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.745 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -54.78 -60.51 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 54.32 111.112 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.589 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.1 m-30 -48.77 -49.23 39.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.866 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.516 ' HA ' HD11 ' A' ' 98' ' ' ILE . 49.9 tp -51.93 -61.87 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 74.3 110.923 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -41.47 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.903 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.64 ' HG3' HD23 ' A' ' 37' ' ' LEU . 6.8 mm-40 -53.95 -72.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 70.41 110.878 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.1 t -55.48 -42.83 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 52.52 111.153 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -51.82 -39.21 58.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.55 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -51.16 -30.39 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.872 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -112.27 -74.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 70.33 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.54 133.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 65.22 110.838 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 74.41 110.926 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.796 0.248 . . . . 73.12 112.372 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.61 -43.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 70.2 112.504 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.602 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -158.24 -174.27 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 72.44 111.143 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.432 ' SG ' HD12 ' A' ' 40' ' ' ILE . 88.6 m -45.43 -35.32 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 54.53 110.906 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.47 -71.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 64.02 111.102 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.458 ' HA ' HD22 ' A' ' 99' ' ' ASN . 34.0 t-80 -53.26 -36.32 61.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -57.54 -54.87 41.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 61.15 111.086 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.516 HD11 ' HA ' ' A' ' 77' ' ' LEU . 74.1 mt -55.58 -58.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.136 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.458 HD22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -55.37 -45.19 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.886 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.5 m -56.03 -58.95 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 71.35 111.138 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 47' ' ' ILE . 35.7 mt -51.11 -55.52 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.935 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -57.47 -17.08 24.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 34.33 112.506 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.592 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -84.86 -14.31 48.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 75.1 110.892 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.63 HG23 HD11 ' A' ' 108' ' ' LEU . 3.0 m -119.9 -17.18 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 71.54 111.085 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.786 ' HA ' HD12 ' A' ' 108' ' ' LEU . 2.3 tp -53.29 -26.24 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 73.33 111.153 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.458 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -51.23 -68.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 60.01 110.911 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -55.71 -44.03 77.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 105' ' ' ILE . 21.7 mt -55.24 -69.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.934 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.604 HD12 ' CG1' ' A' ' 105' ' ' ILE . 1.2 mt -52.17 -63.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 75.41 110.946 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 109' ' ' LEU . 43.0 m -36.99 -71.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 65.35 110.889 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.06 -41.05 16.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 61.23 110.817 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 109' ' ' LEU . . . -57.07 -60.95 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.071 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.602 HG12 HG21 ' A' ' 124' ' ' ILE . 0.9 OUTLIER -55.52 -45.58 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 60.31 111.164 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.46 -69.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.0 111.126 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -50.55 63.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.883 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.505 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 96.1 p -48.27 145.74 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 54.22 110.829 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' GLN . 0.4 OUTLIER -98.05 -177.87 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 51.23 110.89 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.601 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 64.9 tt0 -35.82 -55.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.949 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.44 -72.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.848 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.505 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 18.8 m170 -45.46 -58.86 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 71.02 110.875 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.601 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.42 -38.21 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.922 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -61.46 -43.75 98.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.892 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -58.3 -45.09 88.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 63.3 110.89 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.602 HG21 HG12 ' A' ' 113' ' ' ILE . 40.3 mt -61.82 -46.32 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 75.02 111.144 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -55.34 -60.1 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 61.13 110.847 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 127' ' ' LEU . 26.8 ptm -52.21 -42.34 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 65.44 110.846 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.728 HD23 HD22 ' A' ' 66' ' ' LEU . 39.5 tp -55.39 -46.58 76.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 73.24 110.97 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.71 HD11 HG21 ' A' ' 145' ' ' ILE . 0.1 OUTLIER -56.21 -49.45 74.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.895 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -51.93 -51.48 56.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.851 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.64 -41.67 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 72.4 111.117 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.516 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 8.4 m0 -55.35 -56.12 23.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.878 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.36 -52.71 43.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -56.9 -72.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 43.23 110.869 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 55.22 110.867 -179.813 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.748 0.309 . . . . 65.34 111.088 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.71 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -63.79 -26.66 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 74.41 111.097 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -38.58 -51.96 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 72.32 110.88 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.5 t -57.06 98.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 42.32 110.829 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.55 -28.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 61.34 110.875 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 15.5 t -49.01 -35.2 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 63.51 110.865 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -56.77 -86.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.14 110.899 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -45.6 -47.2 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 74.02 111.085 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 63.7 mmm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.863 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.632 0.73 . . . . 62.14 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . 0.511 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.7 Cg_endo -69.78 -11.26 30.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.622 2.214 . . . . 65.1 112.357 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.9 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.875 0.369 . . . . 75.04 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -46.9 -29.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.865 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -49.93 -57.32 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.947 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.41 -51.65 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.52 110.893 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 30.0 t80 -56.03 -69.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.89 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.94 -45.24 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.134 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.438 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.29 -49.53 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 54.43 111.083 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.595 HG21 ' O ' ' A' ' 28' ' ' ARG . 38.8 m -57.64 -53.79 54.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 63.35 111.134 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 53' ' ' TYR . 11.2 tp -55.51 -54.18 47.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 64.13 110.933 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -49.58 -55.55 13.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 72.53 110.923 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -56.13 -31.54 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 54.52 110.821 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.517 ' HZ ' HG23 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -56.52 -62.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.888 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -56.84 -36.19 69.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 63.1 110.901 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -56.44 -23.77 40.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 71.4 110.816 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.926 -179.921 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.517 HG23 ' HZ ' ' A' ' 17' ' ' PHE . 7.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.829 0.347 . . . . 74.13 111.116 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.13 125.73 31.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 54.41 110.895 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.35 -38.03 40.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 60.12 112.508 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -55.08 -47.6 74.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 75.53 110.893 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.595 ' O ' HG21 ' A' ' 13' ' ' THR . 5.4 mpt_? -52.83 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 65.24 110.874 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.615 ' HA ' HD12 ' A' ' 32' ' ' LEU . 79.1 mt -47.53 -43.62 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 52.25 111.135 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 34' ' ' THR . 16.3 mtmt -56.05 -53.23 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.898 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.76 -47.57 64.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.907 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 29' ' ' ILE . 6.7 mt -57.87 -51.8 68.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 64.32 110.901 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.423 HG23 ' HA ' ' A' ' 72' ' ' ILE . 16.4 m -57.51 -70.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.154 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.2 t -42.68 -45.29 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 51.34 111.195 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.478 ' N ' HG23 ' A' ' 34' ' ' THR . 19.7 t80 -58.25 -54.46 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 65.13 110.931 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.616 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.17 -57.08 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 30.12 111.093 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.712 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.1 mp -57.42 -46.64 83.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.915 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -55.59 -27.47 49.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 74.52 110.856 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.671 ' HB3' HD11 ' A' ' 42' ' ' ILE . 3.1 t-160 -130.54 84.54 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.831 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.587 HG22 ' O ' ' A' ' 40' ' ' ILE . 21.4 mm -79.5 2.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.132 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -92.97 17.3 10.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 65.24 110.856 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.671 HD11 ' HB3' ' A' ' 39' ' ' HIS . 3.0 pt -147.56 33.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 70.43 111.124 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.714 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -59.44 -34.14 72.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.871 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 33.1 t -59.73 -73.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.831 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.478 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.25 -47.61 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.914 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.8 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 68.4 mt -56.56 -73.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.16 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.788 HD12 HD11 ' A' ' 101' ' ' LEU . 40.4 mm -45.78 -49.75 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 64.24 111.154 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -56.91 -41.74 78.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 72.1 110.848 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.6 tp -57.6 -66.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 74.3 110.891 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.476 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.6 pt -48.8 -44.7 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.54 111.14 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.491 ' CD1' HG22 ' A' ' 47' ' ' ILE . 74.3 mt -55.7 -63.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 73.4 111.161 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -49.88 74.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 72.31 110.84 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.472 ' CB ' HD21 ' A' ' 14' ' ' LEU . 3.6 t80 -48.73 -41.56 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.2 110.959 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 56.3 p -62.24 -76.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 60.12 110.838 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.519 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -41.91 -35.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 71.05 110.888 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.29 -77.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 60.35 110.916 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 61' ' ' HIS . 88.4 m -47.41 150.14 1.72 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.635 0.731 . . . . 41.51 110.857 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -153.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.734 2.29 . . . . 75.32 112.315 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.86 -46.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.82 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.5 t -43.22 -42.61 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 61.42 110.831 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.527 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -58.06 -46.84 84.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 61.51 110.857 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.532 ' O ' HD12 ' A' ' 66' ' ' LEU . 12.0 mtmt -42.41 -67.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.876 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.22 -59.72 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 71.25 110.953 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -49.71 -71.85 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.722 . . . . 74.24 112.449 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLY . 33.4 t -37.25 -61.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 64.03 110.871 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.764 ' CD2' HD23 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -41.42 -53.8 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.891 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -57.91 -47.69 82.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 75.02 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.404 HD13 ' CD1' ' A' ' 14' ' ' LEU . 73.8 mt -56.41 -54.19 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 71.23 111.134 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.1 mt -56.29 -38.49 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.53 111.157 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.51 -54.84 42.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 74.04 110.853 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.66 -64.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.843 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.423 ' HA ' HG23 ' A' ' 33' ' ' THR . 47.3 mt -51.67 -44.65 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 75.01 111.134 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.47 -59.71 8.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 63.4 112.559 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -51.96 -53.8 37.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 74.4 110.842 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.712 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -55.09 -63.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 61.31 111.118 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.616 ' O ' HG22 ' A' ' 80' ' ' THR . 2.4 m-30 -48.64 -44.16 37.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 71.23 110.929 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.434 ' HA ' HD11 ' A' ' 98' ' ' ILE . 15.7 tp -54.24 -58.55 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 60.35 110.928 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -39.72 67.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 62.45 110.846 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.478 ' HG3' HD23 ' A' ' 37' ' ' LEU . 18.5 mm-40 -55.96 -73.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.41 110.916 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.744 HG21 HD12 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -55.41 -35.98 65.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 70.11 111.137 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.75 -48.0 73.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 62.44 110.88 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.0 t -54.73 -35.31 63.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.848 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -179.42 152.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 72.31 110.913 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 t 64.04 106.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.903 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.924 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.3 Cg_endo . . . . . 0 C--O 1.23 0.113 0 CA-C-O 120.833 0.264 . . . . 61.3 112.312 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.52 -49.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 43.34 112.508 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.582 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -153.76 -175.21 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 70.55 111.104 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.3 p -40.59 -52.05 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 65.32 110.867 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.46 -68.0 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.34 111.043 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 3.3 m-70 -50.44 -39.91 48.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 72.34 110.825 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.59 -52.17 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 61.43 111.141 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.744 HD12 HG21 ' A' ' 80' ' ' THR . 39.6 mt -56.33 -58.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.4 111.153 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.52 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 71.25 110.857 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.6 m -56.62 -54.19 48.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 61.14 111.142 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.788 HD11 HD12 ' A' ' 47' ' ' ILE . 30.8 mt -55.16 -53.95 49.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.41 110.89 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.76 -14.98 24.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 73.01 112.468 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.556 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -89.91 -10.0 46.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 65.34 110.904 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.556 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.1 m -122.5 -19.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 73.03 111.148 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.753 HG13 HD12 ' A' ' 109' ' ' LEU . 1.6 tp -50.82 -31.42 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.54 111.147 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.441 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -48.29 -70.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.927 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.55 -37.71 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.835 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.64 -74.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 62.5 110.919 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.972 HD13 HD12 ' A' ' 145' ' ' ILE . 0.3 OUTLIER -51.81 -60.29 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.939 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' LEU . 88.6 p -37.64 -63.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.836 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -52.47 -46.57 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 71.31 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.466 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.64 -60.85 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 44.11 111.051 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.2 mt -51.08 -47.34 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 61.53 111.112 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.45 -69.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 71.53 111.147 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -53.97 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 61.54 110.901 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.498 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 96.2 p -43.32 143.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.34 110.889 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.53 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -91.27 -174.94 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 61.04 110.88 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.537 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 20.0 tt0 -43.18 -54.03 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 65.24 110.932 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.51 -65.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 53.01 110.871 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.53 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 35.7 m170 -48.61 -61.08 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 55.32 110.873 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -47.96 -35.28 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 71.32 110.864 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -60.19 -54.63 43.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 55.34 110.891 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -51.22 -48.6 62.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 72.51 110.868 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.683 HG12 HD13 ' A' ' 66' ' ' LEU . 73.0 mt -56.77 -51.12 71.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 72.33 111.122 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -49.37 -53.29 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 62.51 110.842 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.07 -46.2 75.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 54.14 110.835 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.764 HD23 ' CD2' ' A' ' 66' ' ' LEU . 19.4 tp -55.27 -46.77 76.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 1.043 HD11 HG21 ' A' ' 145' ' ' ILE . 11.6 mt -56.15 -49.29 74.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 70.34 110.878 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -52.49 -50.45 62.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 63.52 110.856 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.453 HG21 ' HA ' ' B' 1010 ' ' TYR . 68.2 mt -57.28 -42.04 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 71.14 111.106 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.458 ' HE1' HD11 ' A' ' 127' ' ' LEU . 45.2 m0 -55.1 -56.36 20.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 71.24 110.903 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.27 -55.51 30.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.893 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -72.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 63.05 110.884 -179.747 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.807 0.337 . . . . 75.22 111.052 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 1.043 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.07 -24.3 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.23 111.084 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -43.95 -52.67 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.864 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.5 t -55.51 100.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 52.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -28.86 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 74.13 110.944 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.5 m -49.73 -29.51 7.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 60.23 110.874 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -57.89 -95.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.852 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -39.58 -38.43 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.4 111.075 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 22.7 mtp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 70.45 110.871 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . 0.426 ' HA ' ' HD2' ' B' 1009 ' ' PRO . 15.8 t-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.604 0.716 . . . . 70.04 110.868 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' B' 1008 ' ' ASN . 53.7 Cg_endo -69.82 -17.82 37.1 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 61.21 112.341 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . 0.453 ' HA ' HG21 ' A' ' 130' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.885 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.884 0.373 . . . . 65.51 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -46.45 -29.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.87 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -50.23 -56.81 9.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 72.24 110.965 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -53.21 -51.82 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 62.2 110.84 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.813 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 36.1 t80 -55.85 -69.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.884 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.88 -44.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 72.35 111.111 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.8 -49.35 68.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.35 111.079 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.584 HG21 ' O ' ' A' ' 28' ' ' ARG . 32.3 m -57.39 -52.69 64.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 75.13 111.146 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 53' ' ' TYR . 8.1 tp -55.89 -56.65 18.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.923 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.61 -57.63 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.865 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 t -56.48 -29.89 62.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 52.43 110.855 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.52 ' HD1' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -56.9 -62.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 65.33 110.85 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -56.18 -34.44 66.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.925 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -55.81 -22.03 22.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 74.22 110.844 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.52 HD12 ' HD1' ' A' ' 17' ' ' PHE . 52.1 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.929 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 24' ' ' ILE . 10.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.842 0.353 . . . . 72.32 111.149 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.4 m -90.26 126.54 35.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 42.14 110.857 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.04 -26.68 49.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 74.23 112.545 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -49.33 -57.81 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 73.04 110.847 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.584 ' O ' HG21 ' A' ' 13' ' ' THR . 10.8 mpt_? -49.37 -53.91 20.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.869 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.8 mt -50.91 -45.2 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 62.1 111.132 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.645 ' O ' HG22 ' A' ' 34' ' ' THR . 11.4 mttt -55.35 -54.55 42.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.878 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.97 -50.13 61.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 71.24 110.901 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD23 ' CD1' ' A' ' 10' ' ' PHE . 11.5 mt -57.93 -52.06 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.915 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 72' ' ' ILE . 3.2 m -57.02 -71.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.168 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.3 t -42.04 -43.72 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 75.44 111.156 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' N ' HG23 ' A' ' 34' ' ' THR . 19.9 t80 -58.07 -57.15 14.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.901 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.549 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -50.07 -51.16 44.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 63.44 111.076 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.557 ' HA ' HD11 ' A' ' 40' ' ' ILE . 4.1 mm? -55.18 -48.83 73.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 71.23 110.884 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -56.9 -30.61 64.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.841 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.697 ' HB3' HD11 ' A' ' 42' ' ' ILE . 6.0 t-160 -128.74 86.14 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.885 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.557 HD11 ' HA ' ' A' ' 37' ' ' LEU . 25.4 mm -80.77 1.88 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 73.44 111.147 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -90.23 14.66 12.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 54.34 110.869 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 39' ' ' HIS . 2.9 pt -139.95 31.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 62.13 111.155 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.649 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.2 pp20? -58.58 -36.61 74.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.14 110.845 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -58.38 -73.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.1 110.878 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' CD ' ' H ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -47.13 -47.92 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 71.13 110.899 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.813 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 67.5 mt -55.95 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 71.32 111.152 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.686 HD12 HD11 ' A' ' 101' ' ' LEU . 33.8 mm -47.44 -49.57 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 73.02 111.086 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 m -57.05 -42.79 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.86 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.462 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.3 tp -57.54 -67.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.35 110.881 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.53 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.7 pt -46.94 -45.92 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 63.13 111.085 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.506 HD12 HG22 ' A' ' 47' ' ' ILE . 78.5 mt -55.79 -62.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.156 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -51.69 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.863 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CB ' HD21 ' A' ' 14' ' ' LEU . 4.1 t80 -49.82 -38.34 34.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 71.2 110.901 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.623 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 4.6 p -63.58 -75.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 41.34 110.873 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.623 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -42.04 -35.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 72.34 110.829 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.17 -75.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.943 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.51 151.85 1.83 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 50.33 110.92 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -153.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.713 2.275 . . . . 71.22 112.36 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 14.6 t70 -39.4 -45.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 71.34 110.84 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -44.19 -41.84 6.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 55.41 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -59.07 -47.89 83.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 65.54 110.881 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.532 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 40.6 mttm -44.08 -69.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 63.31 110.904 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 9.8 tp -63.33 -57.59 9.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 71.32 110.947 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -51.72 -75.54 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 42.12 112.5 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' GLY . 3.5 p -38.12 -48.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 62.1 110.867 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.452 HD21 ' HG ' ' A' ' 109' ' ' LEU . 6.8 mt -45.95 -55.44 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.933 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.529 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 14.4 m-85 -57.61 -44.47 85.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.922 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.52 HD11 ' CD2' ' A' ' 17' ' ' PHE . 81.5 mt -56.83 -57.61 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 73.35 111.133 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.9 mt -55.73 -36.34 42.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 74.03 111.154 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.13 -54.41 47.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 50.2 110.853 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.8 m -55.38 -59.86 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.864 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.434 ' HA ' HG23 ' A' ' 33' ' ' THR . 49.8 mt -54.45 -51.03 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 65.12 111.133 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.34 -54.0 34.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 60.31 112.489 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -58.82 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 64.04 110.843 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -55.33 -53.25 58.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 51.44 111.104 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.549 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.3 m-30 -52.09 -49.93 62.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.894 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -60.67 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 74.41 110.919 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.1 -41.09 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.887 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.472 ' HG3' HD12 ' A' ' 37' ' ' LEU . 9.3 mm-40 -55.81 -72.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.896 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.7 t -54.68 -43.27 72.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 71.15 111.164 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.84 -37.06 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 44.43 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -51.81 -30.94 25.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.52 110.812 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -114.63 -75.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 70.13 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -171.98 140.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 71.2 110.883 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.892 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.833 0.264 . . . . 65.22 112.313 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.86 -44.87 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 74.31 112.495 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -156.37 -173.72 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 72.24 111.114 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 80.1 m -45.2 -44.4 10.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.04 110.867 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.03 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 55.15 111.107 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -52.75 -34.97 55.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 65.42 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.37 -58.13 9.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 52.3 111.098 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 94' ' ' CYS . 3.6 mt -56.37 -47.52 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.52 111.129 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -56.52 -54.2 48.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 50.25 110.923 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.3 m -53.47 -49.04 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.14 111.126 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.686 HD11 HD12 ' A' ' 47' ' ' ILE . 25.7 mt -53.32 -56.37 17.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.912 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.57 -15.14 24.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 75.34 112.519 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.564 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -86.41 -15.51 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 61.41 110.876 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.564 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -119.11 -21.92 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 60.41 111.117 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.78 ' CG1' HD12 ' A' ' 109' ' ' LEU . 1.6 tp -49.91 -30.25 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 70.51 111.141 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.41 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -45.29 -69.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.898 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.93 -39.91 72.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 41.13 110.928 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.502 HD22 ' OG ' ' A' ' 54' ' ' SER . 43.7 mt -56.38 -71.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.923 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.78 HD12 ' CG1' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -55.42 -62.84 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 65.15 110.917 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 109' ' ' LEU . 97.0 p -34.58 -60.55 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.855 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -55.26 -52.79 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.11 110.877 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.428 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -48.41 -57.19 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 50.01 111.107 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.507 HG12 HG21 ' A' ' 124' ' ' ILE . 2.1 mt -54.78 -48.04 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.169 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.46 ' HB3' ' HE2' ' A' ' 115' ' ' LYS . . . -57.13 -68.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.078 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.46 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -51.55 -52.74 44.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.919 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 97.0 p -47.0 144.32 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 53.41 110.842 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 118' ' ' GLN . 0.7 OUTLIER -99.24 -178.09 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 73.54 110.901 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 30.1 tt0 -34.77 -55.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 33.25 110.912 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.22 -73.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.477 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 26.3 m170 -45.7 -58.64 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.848 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.583 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.58 -38.06 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.873 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.25 -45.62 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.871 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -57.27 -48.66 78.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 73.42 110.934 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.507 HG21 HG12 ' A' ' 113' ' ' ILE . 58.7 mt -58.24 -51.61 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.34 111.113 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -49.37 -53.99 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.866 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.78 -48.35 72.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.869 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.734 HD12 ' HG3' ' B' 1009 ' ' PRO . 12.5 tp -51.96 -47.0 64.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 55.42 110.94 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.623 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.3 OUTLIER -57.2 -49.33 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.931 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -50.83 -54.39 24.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 63.23 110.888 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.502 HD13 ' HG2' ' B' 1009 ' ' PRO . 8.1 mt -58.07 -40.63 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 62.42 111.132 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.531 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 31.0 m0 -51.16 -61.46 2.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.906 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -55.78 -47.68 76.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 54.5 110.889 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -55.72 -68.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 61.25 110.902 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.3 110.833 -179.808 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.793 0.33 . . . . 62.54 111.099 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.741 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.81 -23.3 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.15 111.134 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -39.65 -53.27 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.91 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.7 t -63.75 105.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 65.54 110.895 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -46.9 -28.13 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 71.5 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 94.9 m -47.86 -30.13 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 55.35 110.862 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -57.61 -95.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.877 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -40.15 -37.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 71.41 111.127 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 36.7 mtp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.85 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 15.0 p30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.644 0.735 . . . . 71.53 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . 0.734 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.6 Cg_endo -69.72 -9.6 26.53 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 73.43 112.348 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 64.53 110.96 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.342 . . . . 72.21 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -48.34 -26.41 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.844 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -48.41 -58.45 4.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.955 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -52.64 -50.44 63.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 70.1 110.927 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.79 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 40.7 t80 -55.7 -70.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 65.35 110.871 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -47.63 -46.01 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.14 111.089 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.463 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.26 -47.23 69.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.061 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.522 HG21 ' O ' ' A' ' 28' ' ' ARG . 11.7 m -58.0 -54.56 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 72.42 111.116 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.8 tp -55.86 -51.46 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.949 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.09 -54.09 17.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.909 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 t -56.98 -32.18 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 71.22 110.874 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.93 -61.19 2.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -55.67 -32.51 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.895 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -55.31 -23.17 22.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.915 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 25' ' ' SER . 31.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 64.51 110.873 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.831 0.348 . . . . 70.03 111.133 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.597 ' HB2' HD11 ' A' ' 20' ' ' LEU . 1.5 t -119.63 110.44 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.876 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.61 -51.98 53.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 53.24 112.497 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.6 t -48.61 -43.61 36.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 61.42 110.859 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' HG21 ' A' ' 13' ' ' THR . 9.3 mpt_? -54.64 -58.95 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 63.31 110.896 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.503 ' HA ' HD12 ' A' ' 32' ' ' LEU . 47.0 mt -50.03 -42.96 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 64.32 111.14 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.61 ' O ' HG22 ' A' ' 34' ' ' THR . 25.8 mtpt -56.3 -57.64 11.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 62.12 110.95 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -50.08 -50.54 47.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.911 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 29' ' ' ILE . 4.1 mt -56.05 -51.42 67.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.51 110.91 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.437 HG23 ' HA ' ' A' ' 72' ' ' ILE . 5.2 m -57.37 -71.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 70.33 111.166 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.3 t -43.8 -44.35 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 64.31 111.132 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.475 ' N ' HG23 ' A' ' 34' ' ' THR . 22.2 t80 -56.6 -57.63 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.919 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.613 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.77 -52.51 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 72.2 111.119 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HA ' HD11 ' A' ' 40' ' ' ILE . 3.7 mm? -57.6 -50.91 71.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.95 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -56.68 -28.64 61.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 62.25 110.876 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.626 ' CB ' HD11 ' A' ' 42' ' ' ILE . 75.0 m-70 -127.29 83.92 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.885 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 40' ' ' ILE . 19.2 mm -79.8 0.4 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 75.41 111.106 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -92.17 21.88 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.895 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.4 pt -148.3 27.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.144 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.696 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -57.72 -34.43 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 61.54 110.903 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -58.67 -72.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 61.5 110.885 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.3 -45.58 45.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.01 110.913 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.79 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 57.0 mt -57.07 -69.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 75.44 111.123 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.783 HD12 HD11 ' A' ' 101' ' ' LEU . 37.3 mm -49.33 -46.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 75.3 111.112 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 m -57.93 -43.48 86.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 75.31 110.872 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.523 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.6 tp -57.72 -66.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.505 . . . . 63.4 110.899 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.5 pt -45.46 -47.0 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.52 111.112 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.516 HD13 HG21 ' A' ' 104' ' ' VAL . 73.9 mt -55.51 -56.64 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 65.11 111.182 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.33 -46.84 79.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 65.32 110.851 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.752 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.6 t80 -53.53 -35.81 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.55 110.938 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 t -62.01 -74.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 74.24 110.883 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -24.61 58.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 73.52 110.864 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 53' ' ' TYR . 3.8 mt -42.96 -80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 64.35 110.911 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.692 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -88.97 170.59 10.65 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.716 . . . . 75.44 110.887 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.84 -159.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 75.34 112.28 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -30.46 -51.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.835 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 59' ' ' ASP . 58.5 m -32.62 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.848 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.692 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.5 m80 -59.61 -47.83 84.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 73.13 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.686 ' HZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.3 mtmp? -31.8 -68.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.894 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.53 -51.78 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 70.54 110.925 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.45 -59.76 7.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 72.01 112.494 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -54.66 14.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 70.11 110.844 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.537 HD12 HG12 ' A' ' 124' ' ' ILE . 1.1 mt -43.33 -51.93 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 73.43 110.903 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -57.12 -50.11 73.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 14' ' ' LEU . 40.6 mt -57.24 -54.59 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 74.12 111.139 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.5 mt -55.81 -36.66 44.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 51.14 111.096 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -54.89 41.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.892 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -56.82 -59.44 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 72.51 110.877 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.437 ' HA ' HG23 ' A' ' 33' ' ' THR . 61.9 mt -53.62 -47.36 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 71.11 111.156 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.65 -56.81 18.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 71.51 112.457 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.2 -56.88 9.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 73.11 110.897 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.423 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -54.96 -50.87 67.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.094 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.658 ' O ' HG22 ' A' ' 80' ' ' THR . 2.4 m-30 -55.41 -47.1 76.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.893 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.6 tp -53.44 -52.95 57.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 65.24 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -43.38 77.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.839 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -56.05 -71.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 63.03 110.869 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.698 HG21 HD12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -53.99 -35.84 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 41.1 111.163 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -49.8 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 52.33 110.871 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -24.13 29.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 73.51 110.825 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -119.1 -165.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 71.44 110.847 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -87.48 105.02 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.872 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.9 p30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 51.44 110.875 -179.917 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.433 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.118 0 CA-C-O 120.836 0.265 . . . . 73.2 112.337 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.38 -42.2 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 73.02 112.461 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.503 HG22 HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -152.76 -175.49 5.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.328 . . . . 74.41 111.157 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.6 p -45.31 -50.91 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 72.24 110.899 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.54 -66.77 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.135 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 40.8 m170 -52.24 -37.45 55.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.853 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.02 -58.69 6.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 63.14 111.104 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.698 HD12 HG21 ' A' ' 80' ' ' THR . 82.9 mt -53.39 -44.08 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.109 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -55.27 -50.81 68.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.893 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.0 m -56.24 -54.05 49.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.31 111.141 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.783 HD11 HD12 ' A' ' 47' ' ' ILE . 45.7 mt -51.13 -57.08 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.15 110.926 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.58 -15.52 25.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 64.44 112.467 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -91.68 -10.9 38.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 72.51 110.903 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.574 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.8 m -121.27 -15.51 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 74.44 111.168 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.833 HG13 HD12 ' A' ' 109' ' ' LEU . 3.4 tp -50.26 -29.79 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.31 111.116 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.4 110.917 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -56.44 -39.75 73.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 63.42 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.2 mt -56.83 -71.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 74.14 110.924 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.833 HD12 HG13 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -51.66 -64.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 34.03 110.938 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 109' ' ' LEU . 96.2 p -38.05 -62.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.45 110.851 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.45 -43.31 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 70.13 110.909 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.508 ' HA ' ' HD2' ' A' ' 62' ' ' LYS . . . -57.09 -60.04 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 60.51 111.073 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -56.27 -40.09 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.4 111.162 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.66 -70.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.02 111.123 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HB3' ' CE ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -54.31 -47.93 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 72.42 110.923 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 89.6 p -49.08 141.04 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 54.35 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 121' ' ' LYS . 3.1 p30 -90.36 -173.86 3.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 65.44 110.917 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.624 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 4.7 mt-30 -43.49 -52.74 5.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.931 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.53 -67.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 52.32 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.476 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 12.0 m170 -47.88 -59.31 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.816 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.41 -39.15 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.907 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.47 -44.52 96.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.907 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -58.35 -50.18 74.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 71.43 110.851 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.537 HG12 HD12 ' A' ' 66' ' ' LEU . 37.0 mt -56.83 -49.19 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 70.31 111.109 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -54.22 27.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.909 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.47 -49.33 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.855 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.545 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 50.2 tp -52.28 -46.87 66.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.868 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.426 HD11 HG13 ' A' ' 145' ' ' ILE . 1.1 tt -56.25 -48.65 76.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.03 110.956 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -52.91 -49.28 66.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.866 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.06 -42.14 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.121 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.545 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 42.5 m0 -54.17 -58.37 7.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 73.4 110.919 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.75 -53.03 61.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 70.34 110.855 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -55.24 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.879 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 63.3 110.898 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.825 0.345 . . . . 72.33 111.087 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.602 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.89 -21.52 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.43 111.065 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -45.1 -51.54 10.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.835 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 81.8 p -60.67 98.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.886 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -46.54 -34.03 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 60.44 110.884 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.1 p -45.69 -30.91 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 75.42 110.881 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -55.5 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 72.42 110.849 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -48.12 -47.03 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 62.52 111.102 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 71.04 110.91 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.629 0.728 . . . . 74.21 110.864 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.44 25.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.672 2.248 . . . . 71.2 112.342 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 73.24 110.886 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.887 0.375 . . . . 73.42 110.846 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -49.61 -27.07 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.859 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -50.1 -56.58 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.906 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.13 -50.27 67.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.894 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.73 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 38.7 t80 -55.49 -69.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 64.4 110.863 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -49.66 -44.33 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 62.42 111.151 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.92 -50.12 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.23 111.12 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.519 HG21 ' O ' ' A' ' 28' ' ' ARG . 94.7 m -57.15 -52.79 63.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.137 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD23 ' HG ' ' A' ' 49' ' ' LEU . 12.5 tp -56.6 -54.31 47.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 70.11 110.899 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.61 -60.72 2.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 74.02 110.892 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.2 t -55.25 -30.72 60.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.03 110.885 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 64.5 110.88 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -55.51 -36.13 66.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 62.31 110.93 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.52 -27.45 57.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.862 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 44.04 110.911 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.793 0.33 . . . . 71.13 111.157 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.17 127.87 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 70.01 110.877 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.56 -36.39 64.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 70.21 112.496 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.82 -52.41 41.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 65.34 110.841 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.519 ' O ' HG21 ' A' ' 13' ' ' THR . 9.4 mpt_? -51.4 -60.23 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.931 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.548 ' HA ' HD12 ' A' ' 32' ' ' LEU . 65.0 mt -48.28 -44.5 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 63.3 111.14 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.658 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.95 -55.07 37.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 64.45 110.889 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -50.51 -48.69 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 62.33 110.919 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 29' ' ' ILE . 6.5 mt -56.99 -51.84 67.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 74.21 110.91 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.7 m -57.81 -71.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.161 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.3 t -41.5 -45.03 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 74.53 111.181 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' N ' HG23 ' A' ' 34' ' ' THR . 13.3 t80 -56.69 -57.16 13.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.946 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.3 -51.47 44.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 73.54 111.127 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.508 ' HA ' HD11 ' A' ' 40' ' ' ILE . 3.9 mm? -57.21 -49.58 75.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.911 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -57.1 -26.73 60.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 62.1 110.84 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.708 ' HB2' HD11 ' A' ' 42' ' ' ILE . 31.9 m170 -129.99 85.06 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.808 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.599 HG22 HG22 ' A' ' 93' ' ' THR . 33.4 mm -80.27 -1.01 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 64.12 111.172 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -90.96 21.94 3.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.861 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.708 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.9 pt -147.26 31.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 65.3 111.143 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.635 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -58.07 -35.55 71.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.892 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -58.68 -72.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 63.4 110.878 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.99 -47.56 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 70.23 110.903 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.73 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 89.3 mt -55.83 -69.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.1 111.104 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 101' ' ' LEU . 36.2 mm -47.98 -48.96 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.02 111.141 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.4 m -56.69 -42.47 79.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.873 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD23 ' CE2' ' A' ' 10' ' ' PHE . 14.7 tp -58.27 -66.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.534 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.6 pt -47.14 -44.31 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 65.23 111.084 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.409 HG12 HG21 ' A' ' 104' ' ' VAL . 44.7 mt -55.69 -59.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 72.03 111.082 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.414 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -58.55 -49.11 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.86 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.504 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -50.66 -41.86 55.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.934 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 60.6 p -62.53 -73.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 74.22 110.901 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.478 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -43.25 -33.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 70.43 110.887 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 53' ' ' TYR . 35.1 mt -61.17 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 65.25 110.956 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.568 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -50.09 141.72 14.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.627 0.727 . . . . 73.24 110.896 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -100.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 72.22 112.337 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.476 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 3.1 p-10 -69.84 -54.16 14.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 71.53 110.919 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -38.34 -49.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 65.24 110.9 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.568 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -55.58 -53.55 55.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.45 110.807 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.554 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 9.1 mtmm -35.88 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.874 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.569 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 10.0 tp -63.81 -58.34 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 72.33 110.962 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.7 -77.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 74.01 112.533 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' GLY . 0.7 OUTLIER -36.86 -51.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 50.33 110.84 -179.771 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 62' ' ' LYS . 7.8 mt -45.84 -57.33 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.908 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.569 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 12.1 m-30 -57.04 -42.21 80.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.99 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -55.93 -57.27 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 74.14 111.101 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.35 -34.56 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 61.45 111.116 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -57.64 11.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.893 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -56.72 -62.13 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 63.11 110.864 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.5 mt -51.94 -46.54 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 62.31 111.157 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.5 -57.41 13.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 72.42 112.447 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.78 -57.36 9.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 71.01 110.837 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.98 -57.41 11.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 70.42 111.093 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.671 ' O ' HG22 ' A' ' 80' ' ' THR . 1.9 m-85 -50.33 -49.79 52.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.92 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.39 -59.97 3.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 64.52 110.925 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -41.93 63.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 72.03 110.871 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.459 ' HG3' HD12 ' A' ' 37' ' ' LEU . 24.9 mm-40 -56.69 -75.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 64.5 110.852 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.2 t -51.55 -35.12 39.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 70.44 111.177 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -55.19 -52.17 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.876 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -55.89 -35.59 66.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.86 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.65 159.58 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.873 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m 64.36 96.35 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.872 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 70.4 110.875 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.129 0 CA-C-O 120.824 0.26 . . . . 54.02 112.35 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.81 -46.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 41.54 112.487 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.599 HG22 HG22 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -158.96 -173.86 4.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 71.04 111.089 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.467 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 68.9 m -45.66 -40.68 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.877 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -43.27 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 60.04 111.089 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -52.83 -35.36 57.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 72.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.16 -57.99 9.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 74.32 111.104 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.538 ' CD1' HG21 ' A' ' 80' ' ' THR . 5.4 mt -56.29 -47.34 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.3 111.156 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -56.58 -55.43 33.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.2 110.899 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.1 m -51.39 -53.28 38.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 42.1 111.156 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.59 HD11 HD12 ' A' ' 47' ' ' ILE . 47.3 mt -51.01 -56.55 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.905 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.71 -15.56 26.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.69 -0.767 . . . . 72.44 112.49 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.582 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -86.78 -12.29 48.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 73.44 110.849 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.582 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -122.13 -18.94 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 65.42 111.146 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.834 HG13 HD12 ' A' ' 109' ' ' LEU . 4.0 tp -49.95 -29.73 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.522 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.35 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.909 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -56.02 -38.9 71.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.894 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.459 HD22 ' OG ' ' A' ' 54' ' ' SER . 34.9 mt -56.24 -71.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.834 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -51.95 -63.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.91 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 109' ' ' LEU . 83.8 p -36.61 -62.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 71.12 110.835 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.96 -49.46 50.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 72.44 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.533 ' HA ' ' HD2' ' A' ' 62' ' ' LYS . . . -55.63 -55.83 27.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 55.21 111.129 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.6 HG12 HG21 ' A' ' 124' ' ' ILE . 2.5 mt -55.6 -44.09 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 64.05 111.167 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.33 -68.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 43.53 111.092 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -55.71 -50.58 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 75.2 110.874 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.543 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 82.6 p -45.85 139.4 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.834 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -89.58 -168.68 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.877 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.562 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 8.1 tp-100 -46.98 -54.45 10.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.93 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.77 -64.25 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 70.24 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.543 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 26.7 m170 -48.92 -60.1 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.849 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -49.03 -34.63 13.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 62.21 110.915 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -53.76 54.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 61.41 110.874 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -53.59 -43.5 68.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.886 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.6 HG21 HG12 ' A' ' 113' ' ' ILE . 28.4 mt -61.68 -45.1 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 65.14 111.164 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -55.5 -59.11 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.87 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 127' ' ' LEU . 22.3 ptm -52.98 -45.18 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 72.12 110.889 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' B' 1009 ' ' PRO . 18.0 tp -54.35 -47.55 72.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 53.55 110.918 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.595 HD21 HG13 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.75 -49.29 75.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.882 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -50.21 -51.89 40.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 53.0 110.867 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 53.4 mt -57.01 -42.21 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.11 111.136 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.622 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 14.2 m0 -54.74 -55.42 30.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.25 110.941 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -54.86 -49.03 72.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.887 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -54.67 -70.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 70.43 110.872 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.846 -179.75 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.741 0.305 . . . . 72.1 111.106 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.811 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.74 -23.22 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.03 111.091 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -43.0 -51.6 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 63.03 110.872 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 t -54.09 100.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.45 110.849 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -45.86 -29.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 53.54 110.905 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 88.7 m -46.77 -33.18 4.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -54.69 -85.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 73.25 110.887 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -48.11 -55.88 9.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 53.43 111.117 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 3.2 ptm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.32 110.851 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.641 0.734 . . . . 64.25 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . 0.431 ' HG3' HD13 ' A' ' 127' ' ' LEU . 54.1 Cg_endo -69.76 -23.24 31.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 75.45 112.347 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 61.2 110.906 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.853 0.358 . . . . 74.44 110.829 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -48.01 -26.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 62.33 110.857 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -50.59 -57.47 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.96 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -52.96 -51.99 59.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 60.33 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.735 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 45.6 t80 -55.25 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.907 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.84 -44.51 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 74.3 111.139 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.36 -49.52 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 51.31 111.074 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.598 HG21 ' O ' ' A' ' 28' ' ' ARG . 57.0 m -57.24 -53.84 53.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 62.03 111.141 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.7 tp -55.7 -53.63 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.903 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.07 -56.58 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 t -55.97 -30.95 62.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 72.22 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.501 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -57.59 -61.92 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 72.3 110.863 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -56.52 -36.59 69.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 45.34 110.916 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -56.38 -24.58 45.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.842 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.914 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.501 HG23 ' CZ ' ' A' ' 17' ' ' PHE . 4.8 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.84 0.352 . . . . 72.43 111.133 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.68 131.92 36.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 53.02 110.836 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.82 -34.39 61.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 61.11 112.447 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -54.11 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 54.55 110.856 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.598 ' O ' HG21 ' A' ' 13' ' ' THR . 8.8 mpt_? -50.15 -57.91 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 70.34 110.884 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.546 ' HA ' HD12 ' A' ' 32' ' ' LEU . 69.2 mt -49.81 -42.96 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.15 111.163 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 34' ' ' THR . 6.1 mmtp -56.26 -56.47 20.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 72.34 110.886 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -49.99 -48.37 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 64.54 110.946 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 29' ' ' ILE . 7.2 mt -57.69 -51.26 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.903 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.449 HG23 ' HA ' ' A' ' 72' ' ' ILE . 6.2 m -57.78 -71.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 25.44 111.123 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 30' ' ' LYS . 7.1 t -42.53 -45.78 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.45 111.155 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.468 ' N ' HG23 ' A' ' 34' ' ' THR . 20.9 t80 -58.23 -54.9 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.924 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.708 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.58 -57.67 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 75.31 111.081 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.705 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.3 mp -57.14 -48.31 79.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 70.2 110.889 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -56.27 -27.15 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 62.23 110.909 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CB ' HD11 ' A' ' 42' ' ' ILE . 87.4 m-70 -129.5 84.1 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.886 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.593 HG22 HG22 ' A' ' 93' ' ' THR . 18.3 mm -78.68 -0.71 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 52.4 111.134 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -90.62 19.72 5.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 64.22 110.897 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.604 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.7 pt -147.36 28.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 75.22 111.113 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.664 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.3 pm0 -57.54 -36.29 71.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 65.1 110.867 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.1 t -58.51 -73.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.866 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.511 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.96 -46.52 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.833 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.735 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 70.4 mt -56.33 -71.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 74.21 111.153 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.76 HD12 HD11 ' A' ' 101' ' ' LEU . 40.3 mm -47.53 -47.38 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 75.05 111.097 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 m -57.82 -42.82 85.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 65.3 110.872 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.1 tp -57.68 -67.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 71.04 110.96 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.58 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.1 pt -45.12 -46.23 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.114 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.0 mt -57.01 -57.14 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.25 111.149 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -47.86 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 55.53 110.892 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.752 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -54.93 -35.34 64.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.94 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.4 t -63.6 -74.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 42.51 110.84 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -25.78 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 61.42 110.859 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 53' ' ' TYR . 3.8 mt -42.72 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.874 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.689 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -93.31 170.24 8.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.716 . . . . 55.01 110.86 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.6 Cg_endo -69.7 -158.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 70.51 112.342 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -30.86 -52.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.87 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 59' ' ' ASP . 64.2 m -32.53 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 75.41 110.831 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.689 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.9 m80 -61.58 -37.81 85.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 75.01 110.832 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -46.02 -60.28 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.23 110.878 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.478 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 12.8 tp -58.89 -58.95 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 54.54 110.926 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.17 -60.7 5.96 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 50.34 112.483 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.7 p -48.08 -48.17 33.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 64.45 110.832 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -48.04 -53.19 17.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.955 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.478 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 12.9 m-85 -55.4 -47.11 76.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.05 110.895 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.5 ' HA ' HG23 ' A' ' 29' ' ' ILE . 59.8 mt -56.21 -50.25 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.53 111.182 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.2 mt -57.46 -39.0 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.155 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.91 -55.22 35.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.871 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.1 p -55.75 -57.46 11.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 44.33 110.895 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.449 ' HA ' HG23 ' A' ' 33' ' ' THR . 72.7 mt -55.2 -43.78 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 72.03 111.109 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.08 -58.24 14.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 70.3 112.525 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mtm105 -51.61 -55.59 18.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 71.45 110.868 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.705 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -55.36 -58.06 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 51.33 111.072 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.715 ' O ' HG22 ' A' ' 80' ' ' THR . 2.7 m-30 -51.19 -45.81 61.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 62.53 110.899 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 tp -52.08 -56.29 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 65.34 110.967 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -43.96 73.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 63.05 110.836 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG3' HD23 ' A' ' 37' ' ' LEU . 7.4 mm-40 -55.46 -73.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.899 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -52.59 -35.99 55.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 52.13 111.133 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -52.75 -51.3 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 50.45 110.913 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.6 m -55.38 -24.75 31.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.03 110.889 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -115.81 -166.04 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.9 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -87.65 100.07 12.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.865 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 75.55 110.915 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.103 0 CA-C-O 120.884 0.285 . . . . 74.0 112.336 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.553 ' O ' HG23 ' A' ' 93' ' ' THR . . . 175.09 -36.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 53.31 112.462 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -170.93 -174.01 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 72.04 111.146 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -42.34 -51.84 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 71.02 110.873 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -51.43 -61.48 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 71.11 111.109 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 54.6 m80 -53.66 -42.92 68.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.02 110.849 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -51.12 -59.12 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.142 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.696 HD12 HG21 ' A' ' 80' ' ' THR . 76.4 mt -55.11 -46.28 77.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 64.11 111.116 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -55.3 -52.14 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 62.4 110.887 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.5 m -55.19 -53.33 57.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 63.43 111.161 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.76 HD11 HD12 ' A' ' 47' ' ' ILE . 56.5 mt -52.57 -55.99 18.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.915 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.49 -15.68 25.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 73.11 112.507 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.582 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -89.82 -9.36 49.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 61.04 110.909 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.582 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.4 m -124.12 -16.5 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.21 111.104 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.797 HG13 HD12 ' A' ' 109' ' ' LEU . 4.2 tp -50.09 -29.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.431 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -53.68 -71.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.938 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -55.61 -39.03 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 53.05 110.94 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.77 -64.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.909 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.797 HD12 HG13 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -53.84 -69.86 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.925 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.3 p -36.55 -59.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -52.49 -50.71 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 70.51 110.885 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.37 -55.59 29.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.142 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.663 HG12 HG21 ' A' ' 124' ' ' ILE . 7.4 mt -54.53 -49.72 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 70.13 111.098 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.53 -67.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 70.02 111.115 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -49.59 -45.56 48.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 54.24 110.881 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.403 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 5.4 m -55.83 154.19 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 54.03 110.868 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -96.41 -171.39 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.898 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.641 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 4.5 tp-100 -46.91 -51.98 15.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.899 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.53 -67.42 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 116' ' ' SER . 11.9 m170 -47.81 -59.6 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.876 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.96 -38.32 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 63.13 110.859 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -60.99 -44.98 96.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 64.4 110.903 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -57.79 -49.2 77.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.25 110.893 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.663 HG21 HG12 ' A' ' 113' ' ' ILE . 60.7 mt -57.34 -50.02 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 73.32 111.172 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -49.57 -52.16 32.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 75.51 110.869 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.94 -51.83 66.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 65.45 110.901 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.627 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 29.3 tp -52.47 -42.77 64.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.921 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.657 HD11 HG21 ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.55 -48.96 76.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.902 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -53.99 -53.06 58.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 61.23 110.844 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.8 mt -55.5 -42.56 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.03 111.155 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.627 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 30.1 m0 -55.97 -54.06 49.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 65.31 110.918 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.48 -51.99 60.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 63.24 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -55.96 -71.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 64.52 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 54.51 110.867 -179.8 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.431 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.786 0.327 . . . . 63.22 111.136 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.657 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -69.32 -20.84 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 54.14 111.132 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -40.61 -51.71 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.879 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 t -65.2 90.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 64.55 110.833 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -42.04 -27.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 62.32 110.889 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 5.3 t -46.07 -28.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 64.42 110.857 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.714 ' CE1' ' HB2' ' A' ' 151' ' ' ALA . 10.0 p90 -55.63 -60.87 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.42 110.913 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.714 ' HB2' ' CE1' ' A' ' 150' ' ' PHE . . . -67.87 -51.21 50.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 32.53 111.104 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 9.8 mmt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 63.43 110.853 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 28.9 t-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.671 0.748 . . . . 71.24 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -21.55 33.4 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.706 2.271 . . . . 72.44 112.337 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.946 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.863 0.363 . . . . 73.25 110.874 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.53 -28.29 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.3 110.865 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -49.78 -56.86 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 62.35 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.17 -50.34 64.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 70.32 110.886 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.77 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 33.8 t80 -56.09 -70.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.834 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.78 -45.28 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 71.21 111.134 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.442 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.28 -48.39 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 65.41 111.111 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 28' ' ' ARG . 22.7 m -57.86 -52.86 63.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 71.31 111.145 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 11.4 tp -56.14 -55.96 26.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.972 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.67 -60.79 2.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 61.34 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 t -55.04 -30.31 59.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.867 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.916 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -54.28 -67.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.915 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -55.32 -35.07 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.871 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.0 -14.57 9.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.902 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 62.42 110.927 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.623 HD11 ' HG ' ' A' ' 63' ' ' LEU . 33.2 mm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.856 0.36 . . . . 70.05 111.068 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.37 107.75 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 72.2 110.872 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.02 -51.7 52.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 71.13 112.532 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.66 -52.47 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 74.53 110.833 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 13' ' ' THR . 10.4 mpt_? -53.34 -59.12 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 74.14 110.871 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 32' ' ' LEU . 63.3 mt -49.13 -43.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 51.15 111.132 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.633 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.45 -57.79 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 74.05 110.927 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -50.59 -48.42 57.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 74.12 110.89 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD23 ' CD1' ' A' ' 10' ' ' PHE . 4.5 mt -58.04 -52.6 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.924 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 72' ' ' ILE . 3.1 m -57.05 -70.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 71.22 111.148 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.3 t -43.21 -44.28 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 54.12 111.102 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.467 ' N ' HG23 ' A' ' 34' ' ' THR . 13.9 t80 -58.07 -56.42 22.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.888 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.66 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.09 -57.98 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 42.23 111.072 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.711 HD11 ' CB ' ' A' ' 75' ' ' ALA . 1.9 mp -57.69 -46.9 83.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 72.15 110.959 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.46 -28.66 60.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 55.32 110.878 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.636 ' CB ' HD11 ' A' ' 42' ' ' ILE . 34.6 m170 -129.35 83.91 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.12 110.879 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.605 HG22 HG22 ' A' ' 93' ' ' THR . 14.6 mm -77.04 -3.04 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 70.5 111.14 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -89.09 23.85 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 63.11 110.887 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.636 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.5 pt -152.8 29.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.45 111.151 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.679 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.9 OUTLIER -57.79 -35.49 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 75.15 110.896 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -58.73 -73.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 65.52 110.84 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.577 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.73 -46.17 29.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.926 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.77 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 80.5 mt -56.18 -70.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.52 111.156 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.681 HD12 HD11 ' A' ' 101' ' ' LEU . 38.5 mm -47.3 -48.16 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.117 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -57.35 -42.63 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.87 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.5 tp -57.91 -67.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.5 110.939 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.2 pt -46.5 -45.09 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.24 111.107 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.9 mt -56.14 -59.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 75.24 111.181 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -57.13 -50.4 72.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 71.4 110.899 179.827 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.792 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -51.42 -36.78 45.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.32 110.913 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.582 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 9.0 p -63.83 -73.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 52.33 110.852 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.582 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.6 ptt85 -43.56 -33.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.877 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 53' ' ' TYR . 39.8 mt -60.66 -82.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.912 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 58.3 m -50.76 141.15 18.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 72.43 110.885 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -100.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.757 2.304 . . . . 73.54 112.32 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 3.3 p-10 -68.56 -51.58 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 75.15 110.85 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 t -40.01 -48.95 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.876 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.601 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.93 -48.94 79.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.11 110.822 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.49 ' CD ' ' HA ' ' A' ' 112' ' ' ALA . 7.6 mtmp? -39.01 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.31 110.909 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 24' ' ' ILE . 9.8 tp -64.82 -50.16 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.88 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.456 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -54.61 -77.15 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.773 -0.727 . . . . 75.35 112.494 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.8 p -38.98 -52.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 70.54 110.836 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.56 HD21 ' HG ' ' A' ' 109' ' ' LEU . 13.1 mt -46.97 -53.01 13.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.14 110.924 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -57.17 -45.85 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.968 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.39 -55.19 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 73.32 111.108 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.5 mt -56.55 -36.64 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.131 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.495 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -58.0 -56.5 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.835 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -55.98 -62.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.35 110.836 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.405 ' HA ' HG23 ' A' ' 33' ' ' THR . 64.3 mt -52.57 -45.82 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 71.34 111.155 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.91 -60.31 8.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 73.33 112.487 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.68 -54.84 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 72.5 110.891 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.711 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -54.48 -61.81 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 64.34 111.109 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.66 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.3 m-30 -49.56 -43.58 46.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.34 110.902 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 77' ' ' LEU . 2.2 tm? -54.62 -59.62 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.922 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -40.35 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.05 110.918 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.612 ' CD ' HD23 ' A' ' 37' ' ' LEU . 3.8 mm-40 -56.03 -73.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.912 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -55.04 -37.93 67.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 64.43 111.183 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -55.5 -40.89 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 52.14 110.884 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -50.53 -60.19 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 43.04 110.898 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -90.02 -76.23 0.43 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.871 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.9 t -172.83 177.67 2.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 63.04 110.856 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 70.22 110.906 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.129 0 CA-C-O 120.833 0.264 . . . . 72.41 112.338 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.33 -46.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 34.32 112.472 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.605 HG22 HG22 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -156.05 -176.1 5.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.43 111.095 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.551 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.7 p -45.05 -44.9 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 53.02 110.871 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.29 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.12 111.088 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -51.43 -35.11 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 61.43 110.884 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.05 -58.55 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 61.54 111.094 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 76' ' ' TYR . 4.5 mt -55.99 -46.06 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 73.14 111.127 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -56.28 -51.12 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 65.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.4 m -55.19 -52.05 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.145 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.681 HD11 HD12 ' A' ' 47' ' ' ILE . 47.8 mt -52.25 -56.26 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 53.14 110.954 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.46 -16.11 27.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 52.55 112.444 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.549 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -86.61 -12.85 47.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 63.01 110.901 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.549 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.0 m -120.94 -17.89 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.34 111.126 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.784 HG13 HD12 ' A' ' 109' ' ' LEU . 3.0 tp -48.88 -30.07 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.169 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.52 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.09 -71.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 72.22 110.935 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.61 -39.59 70.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.901 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.566 HD22 ' OG ' ' A' ' 54' ' ' SER . 41.7 mt -55.63 -72.27 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.915 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.784 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -51.22 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.15 110.922 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.3 p -37.27 -62.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.87 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -48.87 -49.42 39.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 65.2 110.849 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.49 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -56.07 -58.25 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.108 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.451 HG12 HG21 ' A' ' 124' ' ' ILE . 3.5 mt -52.41 -48.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 61.32 111.137 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.06 -69.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.12 111.107 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HE3' ' HE2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -55.79 -23.97 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 65.42 110.903 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 3.5 m -74.54 147.6 41.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.886 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.515 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -97.38 -171.81 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.87 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.568 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.6 pp0? -45.01 -52.65 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.956 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -62.92 -63.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.88 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.515 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 43.4 m170 -49.32 -61.23 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -48.11 -34.82 10.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 63.24 110.891 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -56.49 20.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.875 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -52.27 -48.96 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 62.14 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.451 HG21 HG12 ' A' ' 113' ' ' ILE . 52.0 mt -55.91 -50.75 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.126 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -50.02 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.855 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 tpp -55.8 -52.29 64.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.904 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 70' ' ' ASP . 25.9 tp -50.57 -46.11 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.917 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.595 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.3 -49.81 73.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 63.31 110.909 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -50.7 -50.63 54.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 70.32 110.851 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.6 mt -57.76 -43.99 85.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 65.04 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.631 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 9.8 m0 -52.18 -57.71 8.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 53.31 110.935 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.52 -47.89 75.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.851 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -55.15 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 65.04 110.879 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 65.34 110.878 -179.828 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.52 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.714 0.293 . . . . 73.03 111.124 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.763 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.8 -21.3 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 63.44 111.143 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -44.79 -49.33 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.9 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.5 t -58.57 96.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 72.24 110.86 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -46.77 -28.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.914 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 36.7 t -47.04 -33.41 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.53 110.908 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -56.67 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 64.12 110.874 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -45.34 -49.37 12.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 32.33 111.074 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 1.6 ptm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 72.3 110.874 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.644 0.735 . . . . 72.41 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . 0.414 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.5 Cg_endo -69.8 -20.97 33.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 75.21 112.334 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.907 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.51 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.841 0.353 . . . . 73.44 110.88 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' CE2' HG23 ' A' ' 11' ' ' VAL . 1.6 t80 -57.79 -14.86 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.921 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.45 -69.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 70.35 110.962 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 6' ' ' ASP . 8.1 p30 -53.3 -46.56 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.897 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 52.3 t80 -53.99 -70.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 62.44 110.872 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.443 HG23 ' CE2' ' A' ' 7' ' ' PHE . 1.2 t -52.64 -42.74 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 71.51 111.153 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.34 -47.59 72.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 64.21 111.124 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.734 HG23 ' HD3' ' A' ' 28' ' ' ARG . 26.7 m -58.13 -53.45 58.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 64.23 111.158 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.576 ' CD1' HD13 ' A' ' 68' ' ' ILE . 18.9 tp -55.04 -51.59 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 52.03 110.889 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.72 -55.01 18.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 51.42 110.864 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 t -57.97 -30.35 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 61.14 110.829 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.669 ' CD2' HD11 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -55.88 -62.16 1.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 75.54 110.941 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -57.55 -37.59 73.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 75.35 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -55.46 -25.26 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 65.22 110.865 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 17' ' ' PHE . 20.7 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 72.21 110.873 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.602 HD11 ' HG ' ' A' ' 63' ' ' LEU . 24.6 mm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.831 0.348 . . . . 75.14 111.106 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -171.02 117.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.816 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.7 -53.43 41.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 44.45 112.496 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 t -47.14 -55.59 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 54.21 110.811 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.734 ' HD3' HG23 ' A' ' 13' ' ' THR . 10.8 mmp_? -54.27 -61.58 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 64.23 110.893 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.5 mt -47.96 -44.05 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 72.14 111.106 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.636 ' O ' HG22 ' A' ' 34' ' ' THR . 17.9 mttp -55.6 -53.03 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.866 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -52.58 -48.4 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.909 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.591 HD23 ' CD1' ' A' ' 10' ' ' PHE . 6.8 mt -58.4 -50.66 72.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 75.53 110.921 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 72' ' ' ILE . 4.7 m -57.32 -71.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 64.22 111.105 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.0 t -41.6 -45.27 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 71.12 111.152 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.466 ' N ' HG23 ' A' ' 34' ' ' THR . 17.2 t80 -58.17 -56.57 20.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 74.42 110.905 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.693 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -48.11 -57.6 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 55.33 111.126 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.825 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.5 mp -57.36 -48.69 78.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 70.14 110.918 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -56.4 -24.5 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 53.14 110.898 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CB ' HD11 ' A' ' 42' ' ' ILE . 25.7 m-70 -132.09 83.96 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 44.13 110.84 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.689 ' CG2' HG22 ' A' ' 93' ' ' THR . 14.6 mm -78.09 -2.14 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 70.02 111.114 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -88.63 22.74 2.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.851 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.607 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.3 pt -149.84 27.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.32 111.171 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.3 pm0 -55.9 -35.39 66.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 70.43 110.842 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -73.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 54.22 110.798 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -48.9 -45.4 41.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.882 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.607 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 79.2 mt -54.52 -73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 73.34 111.135 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.835 HD12 HD11 ' A' ' 101' ' ' LEU . 42.9 mm -48.0 -46.68 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.089 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 m -56.53 -44.24 80.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.817 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.436 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.5 tp -57.54 -66.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 71.43 110.914 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.9 pt -47.9 -45.16 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.113 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 104' ' ' VAL . 42.6 mt -55.57 -62.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 50.13 111.136 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -41.96 73.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 74.2 110.862 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.773 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.9 t80 -54.76 -38.94 67.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.918 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.653 ' OG ' HD22 ' A' ' 108' ' ' LEU . 25.1 p -66.48 -64.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.834 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.443 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -60.16 -17.23 39.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 63.41 110.885 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.2 mt -53.48 -80.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.875 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.69 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -93.45 170.08 9.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.537 0.684 . . . . 64.54 110.906 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.6 Cg_endo -69.77 -154.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 64.13 112.311 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.7 OUTLIER -27.37 -56.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 44.25 110.897 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 59' ' ' ASP . 11.0 p -33.0 -76.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.878 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.69 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 16.4 m170 -61.21 -36.12 79.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 71.45 110.909 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.9 mmtp -50.39 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.897 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.602 ' HG ' HD11 ' A' ' 24' ' ' ILE . 18.6 tp -53.44 -60.05 3.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 64.34 110.872 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.484 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -46.8 -52.71 11.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.493 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.8 p -54.57 -53.27 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 73.3 110.836 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.506 HD12 HG12 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -44.6 -52.25 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 73.3 110.931 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.538 ' CD2' HD12 ' A' ' 24' ' ' ILE . 3.0 m-30 -57.04 -49.12 76.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 70.21 110.945 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.669 HD11 ' CD2' ' A' ' 17' ' ' PHE . 31.7 mt -57.41 -56.14 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 71.03 111.147 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mt -55.61 -36.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.13 111.125 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -56.21 24.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.842 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -55.86 -56.23 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.854 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.4 ' HA ' HG23 ' A' ' 33' ' ' THR . 67.4 mt -54.47 -48.08 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 73.04 111.121 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.62 -55.47 24.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 44.1 112.469 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -56.49 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 70.53 110.887 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.825 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -57.06 -59.75 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.21 111.12 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.693 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.4 m-30 -47.02 -48.71 21.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 60.3 110.926 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.476 ' HA ' HD11 ' A' ' 98' ' ' ILE . 36.9 tp -53.52 -61.23 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 72.32 110.926 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -39.68 68.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 61.42 110.848 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.629 ' HG3' HD23 ' A' ' 37' ' ' LEU . 10.6 mm-40 -55.63 -72.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 72.04 110.849 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.4 t -55.66 -42.73 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 71.1 111.119 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -54.31 -37.27 64.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 62.41 110.847 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.79 -30.43 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.868 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -114.42 -74.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 63.14 110.926 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -175.5 137.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.832 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 55.01 110.894 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.817 0.257 . . . . 74.22 112.344 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.23 -52.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 73.43 112.471 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.689 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -156.9 -173.92 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.33 . . . . 73.03 111.133 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 62.7 m -41.8 -42.29 2.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 65.12 110.918 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.98 -69.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 72.13 111.123 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.476 ' HA ' HD22 ' A' ' 99' ' ' ASN . 22.0 t-80 -53.93 -37.95 64.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 70.34 110.848 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.73 -57.41 12.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 42.14 111.077 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.476 HD11 ' HA ' ' A' ' 77' ' ' LEU . 91.9 mt -55.15 -60.88 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 52.44 111.135 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.476 HD22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -52.05 -46.23 65.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 71.13 110.895 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 m -54.41 -57.52 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.54 111.094 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.835 HD11 HD12 ' A' ' 47' ' ' ILE . 5.8 mt -51.91 -54.65 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 63.22 110.971 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.99 -16.07 31.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 73.12 112.474 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.571 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -90.91 -10.43 42.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 74.34 110.886 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.571 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.5 m -122.77 -14.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 72.2 111.133 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.836 HG13 HD12 ' A' ' 109' ' ' LEU . 3.2 tp -49.6 -29.55 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 73.54 111.131 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -51.18 -70.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.923 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -56.24 -40.58 74.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 61.02 110.88 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.653 HD22 ' OG ' ' A' ' 54' ' ' SER . 28.6 mt -56.6 -72.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 70.53 110.9 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.836 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -50.28 -67.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 73.0 110.91 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' LEU . 91.9 p -36.32 -57.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 53.31 110.879 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.58 -51.85 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 71.12 110.906 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.76 -57.65 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 62.54 111.099 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.1 mt -51.15 -56.93 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.43 111.102 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.95 -66.93 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 70.35 111.098 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -49.73 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 63.14 110.937 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.437 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 5.6 m -60.92 161.7 7.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 61.24 110.907 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.458 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -100.57 -175.72 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.21 110.877 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.622 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 11.0 tt0 -42.87 -52.19 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.31 110.919 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -62.33 -71.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.35 110.864 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.458 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 11.4 m170 -46.17 -59.18 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.823 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.61 -38.74 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.86 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.06 -44.41 97.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.871 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -57.55 -48.01 80.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 64.13 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.506 HG12 HD12 ' A' ' 66' ' ' LEU . 19.9 mt -57.43 -49.47 80.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.52 111.137 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -55.2 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.871 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -48.25 75.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 62.43 110.878 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.499 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 46.1 tp -53.19 -46.45 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.901 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.441 ' CD1' HG21 ' A' ' 145' ' ' ILE . 1.2 tt -56.31 -49.2 74.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 55.33 110.902 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -52.53 -49.41 64.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 62.43 110.901 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 74.2 mt -57.93 -41.48 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.04 111.077 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.499 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 43.5 m0 -54.39 -57.3 11.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 74.05 110.915 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -55.54 -55.65 29.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 54.24 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -55.73 -71.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.887 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 65.02 110.856 -179.804 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.769 0.318 . . . . 73.14 111.076 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.619 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -69.57 -22.77 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 70.11 111.189 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.66 -53.62 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 60.41 110.901 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.5 p -62.1 98.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.865 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -47.22 -28.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 73.41 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 3.3 m -48.64 -29.54 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 70.05 110.86 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -57.33 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.9 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -41.14 -36.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 53.24 111.125 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 13.4 mtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 62.04 110.884 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.683 0.754 . . . . 52.21 110.842 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.1 26.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 63.42 112.345 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 73.15 110.954 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.511 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.872 0.368 . . . . 74.14 110.852 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.461 ' CE2' HG23 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -57.5 -14.53 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.865 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -53.04 -69.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 65.42 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 6' ' ' ASP . 7.4 p30 -52.91 -48.06 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.905 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.775 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 46.7 t80 -53.63 -69.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.872 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.461 HG23 ' CE2' ' A' ' 7' ' ' PHE . 1.2 t -52.15 -42.99 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 73.13 111.104 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.68 -48.51 72.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 63.45 111.106 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 28' ' ' ARG . 95.5 m -58.04 -52.84 63.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.42 111.102 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.418 HD23 ' HG ' ' A' ' 49' ' ' LEU . 14.7 tp -56.51 -52.94 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 55.23 110.924 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -49.84 -59.24 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 54.13 110.882 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -55.32 -31.98 62.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.87 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.13 -64.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 74.41 110.832 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -55.11 -36.19 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 53.44 110.886 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.45 -24.41 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.858 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.932 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.484 HD13 ' HG ' ' A' ' 63' ' ' LEU . 7.3 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 63.52 111.146 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.73 122.99 31.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.913 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.2 -42.01 54.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 62.05 112.529 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -51.29 -48.44 62.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 52.45 110.824 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 13' ' ' THR . 6.2 mpt_? -52.89 -60.33 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.919 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.485 ' HA ' HD12 ' A' ' 32' ' ' LEU . 93.1 mt -49.28 -44.19 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.21 111.116 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.651 ' O ' HG22 ' A' ' 34' ' ' THR . 24.9 mtpt -55.67 -53.31 58.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 64.13 110.931 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -51.73 -49.05 63.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.32 110.914 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.523 HD23 ' CD1' ' A' ' 10' ' ' PHE . 6.5 mt -57.37 -50.9 71.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 42.01 110.923 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.402 ' HA ' HG12 ' A' ' 72' ' ' ILE . 20.7 m -57.75 -72.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.473 . . . . 60.45 111.178 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.5 t -41.48 -44.81 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 71.33 111.144 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.463 ' N ' HG23 ' A' ' 34' ' ' THR . 25.0 t80 -58.08 -56.74 18.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.447 . . . . 74.12 110.884 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.695 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -48.38 -57.24 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 64.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.711 HD21 ' HB1' ' A' ' 75' ' ' ALA . 2.2 mp -57.55 -46.09 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.34 110.866 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.92 -27.41 52.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 62.03 110.869 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.627 ' CB ' HD11 ' A' ' 42' ' ' ILE . 20.2 m-70 -130.11 83.66 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 63.52 110.881 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.605 HG22 HG22 ' A' ' 93' ' ' THR . 18.4 mm -77.38 -1.46 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 72.44 111.125 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -90.44 18.88 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 62.35 110.894 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.627 HD11 ' CB ' ' A' ' 39' ' ' HIS . 2.1 pt -147.63 31.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 31.32 111.14 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.62 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.6 OUTLIER -58.74 -35.43 72.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 75.1 110.921 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.6 t -58.74 -72.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 62.02 110.814 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.43 -46.81 26.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 53.21 110.881 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.775 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 82.5 mt -56.41 -69.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 75.52 111.089 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.565 HD12 ' CD1' ' A' ' 101' ' ' LEU . 37.7 mm -47.69 -47.76 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 73.42 111.141 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -58.09 -40.73 81.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.809 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' CE2' ' A' ' 10' ' ' PHE . 17.1 tp -58.61 -66.28 0.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 72.04 110.929 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.8 pt -46.66 -45.31 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.02 111.153 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt -55.62 -59.33 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 64.14 111.121 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -49.92 74.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.859 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.545 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -50.49 -36.8 35.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.919 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.664 ' OG ' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -63.82 -74.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 72.54 110.878 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.97 -33.0 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 70.35 110.85 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 53' ' ' TYR . 21.4 mt -57.22 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.921 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -57.31 142.6 75.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 72.22 110.915 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -99.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 74.42 112.314 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' SER . 2.1 p-10 -68.33 -54.13 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 73.53 110.875 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -37.64 -50.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.855 -179.784 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.47 -52.79 64.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 74.22 110.845 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 7.6 mtmp? -34.89 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.87 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.484 ' HG ' HD13 ' A' ' 24' ' ' ILE . 9.2 tp -60.9 -56.75 17.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 45.44 110.888 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.35 -75.28 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 70.3 112.505 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 64' ' ' GLY . 15.2 t -36.56 -62.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 74.2 110.862 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.768 ' CD2' HD23 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -39.19 -53.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 73.41 110.957 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.478 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 7.6 m-30 -58.07 -48.58 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.904 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 89.8 mt -56.47 -56.12 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 72.15 111.166 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mp -55.87 -36.2 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 64.15 111.095 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -56.69 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 54.11 110.859 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 p -56.36 -61.29 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.846 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' A' ' 33' ' ' THR . 64.5 mt -53.12 -42.98 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 75.24 111.176 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.63 -58.99 10.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 72.02 112.482 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -52.15 -54.04 35.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.329 . . . . 74.05 110.844 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.711 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -55.5 -61.28 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.11 111.088 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.695 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.6 m-30 -50.23 -46.61 54.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.932 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 tp -52.48 -54.07 37.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 71.23 110.905 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -42.82 74.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.24 110.867 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.32 -72.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 72.01 110.888 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.65 HG21 HD12 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -53.22 -37.36 61.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 73.42 111.146 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -55.48 -45.74 76.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.908 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -51.22 -67.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.01 110.854 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -72.55 -75.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 64.41 110.908 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 p -179.68 168.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.816 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 74.24 110.894 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.109 0 CA-C-O 120.834 0.264 . . . . 75.12 112.341 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 93' ' ' THR . . . 175.01 -45.3 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 73.32 112.449 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.605 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -164.45 -174.64 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 43.45 111.154 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.6 p -41.19 -48.01 3.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 75.33 110.896 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.05 -67.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 62.22 111.074 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 44.9 m80 -51.51 -36.23 43.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.872 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.62 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.46 -60.71 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 72.32 111.111 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.65 HD12 HG21 ' A' ' 80' ' ' THR . 58.5 mt -53.81 -45.73 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.45 111.119 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -56.07 -53.02 62.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.835 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.8 m -54.57 -53.81 49.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.42 111.134 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.565 ' CD1' HD12 ' A' ' 47' ' ' ILE . 35.4 mt -50.83 -57.15 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 64.21 110.96 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.24 -15.56 23.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 65.45 112.501 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -88.71 -11.47 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 73.21 110.914 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.574 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.1 m -122.67 -16.37 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 62.41 111.122 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.738 HG13 HD12 ' A' ' 109' ' ' LEU . 2.0 tp -48.9 -30.35 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 71.45 111.147 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.409 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -47.43 -70.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.944 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -54.7 -40.67 69.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 63.5 110.905 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.664 HD22 ' OG ' ' A' ' 54' ' ' SER . 34.1 mt -55.72 -75.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.958 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.957 HD13 HD12 ' A' ' 145' ' ' ILE . 0.3 OUTLIER -53.04 -61.81 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.898 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' LEU . 46.1 t -36.32 -69.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 40.01 110.88 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.88 -44.46 29.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 65.1 110.884 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.463 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.45 -56.31 21.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 62.41 111.113 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.2 mt -55.24 -45.21 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.12 111.132 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.01 -68.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.094 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -48.62 64.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 88.8 p -51.86 142.64 14.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 64.32 110.861 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 121' ' ' LYS . 1.2 p-10 -93.76 -176.33 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 65.24 110.898 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.624 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 75.0 mt-30 -39.97 -54.0 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 74.41 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -70.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.831 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 13.7 m-70 -46.52 -59.58 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.848 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.78 -38.15 6.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 70.34 110.911 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.43 -45.35 94.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.875 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -57.64 -50.68 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 72.52 110.864 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.679 HG12 HD13 ' A' ' 66' ' ' LEU . 72.6 mt -56.18 -53.1 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 63.13 111.169 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.47 -52.54 21.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.841 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -46.3 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.87 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.768 HD23 ' CD2' ' A' ' 66' ' ' LEU . 18.7 tp -55.29 -48.01 74.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.33 110.885 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.585 HD21 ' HB ' ' A' ' 145' ' ' ILE . 3.2 tp -55.85 -51.72 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 75.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -51.12 -48.16 61.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 72.22 110.847 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.8 mt -56.92 -43.47 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 61.32 111.154 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 49.5 m0 -55.16 -60.68 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 65.04 110.882 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.26 -54.75 41.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 62.31 110.88 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -51.08 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.906 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 64.23 110.857 -179.802 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.735 0.302 . . . . 33.4 111.072 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.957 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.64 -24.34 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.02 111.13 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -43.43 -50.78 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.896 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.46 92.97 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 61.4 110.873 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 152' ' ' MET . 25.2 mmtm -43.98 -33.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.918 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 34.7 m -40.54 -38.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 70.21 110.873 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.501 ' O ' ' C ' ' A' ' 151' ' ' ALA . 16.9 m-85 -58.25 -81.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.9 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 150' ' ' PHE . . . -29.12 -60.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 73.45 111.165 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 148' ' ' LYS . 1.3 ptm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 51.33 110.873 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . 0.407 ' HA ' ' HD2' ' B' 1009 ' ' PRO . 51.3 t-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.659 0.742 . . . . 72.41 110.872 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' B' 1008 ' ' ASN . 53.6 Cg_endo -69.81 -8.66 24.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 63.13 112.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.921 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.842 0.353 . . . . 74.33 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.449 ' CE2' HG23 ' A' ' 11' ' ' VAL . 3.9 t80 -48.12 -26.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.88 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.61 -56.94 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.907 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.01 -52.38 58.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 71.1 110.882 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.755 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 45.8 t80 -55.38 -70.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.883 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.449 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -47.6 -44.05 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 73.24 111.131 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -52.22 -51.02 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 41.44 111.114 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.569 HG21 ' O ' ' A' ' 28' ' ' ARG . 29.7 m -57.09 -52.55 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 52.11 111.15 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 14' ' ' LEU . 12.4 tp -56.0 -52.62 63.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 75.45 110.94 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -49.92 -55.78 13.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.954 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -57.08 -30.87 64.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 74.51 110.832 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.443 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.52 -62.29 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.844 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -57.5 -37.71 73.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.937 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.54 -24.78 34.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 63.15 110.86 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 17' ' ' PHE . 19.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.926 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.852 0.358 . . . . 62.11 111.161 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.99 119.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 53.2 110.832 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.36 -50.0 61.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 73.43 112.466 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -47.02 -57.03 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 63.2 110.865 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.569 ' O ' HG21 ' A' ' 13' ' ' THR . 4.8 mpt_? -51.63 -59.28 4.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 70.03 110.891 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.9 mt -48.86 -43.38 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.633 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -56.18 -56.5 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.88 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -50.86 -49.26 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.883 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 10' ' ' PHE . 13.7 mt -57.52 -52.7 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 54.31 110.945 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.405 ' HA ' HG12 ' A' ' 72' ' ' ILE . 5.1 m -57.46 -71.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 74.13 111.143 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.9 t -41.44 -44.54 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 71.31 111.124 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.489 ' N ' HG23 ' A' ' 34' ' ' THR . 19.1 t80 -59.46 -55.75 30.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 71.15 110.911 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.651 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -48.03 -57.41 5.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 52.03 111.109 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.846 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.2 mp -57.15 -48.88 77.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 63.33 110.888 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.82 -23.62 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 64.21 110.911 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.613 ' CB ' HD11 ' A' ' 42' ' ' ILE . 10.5 m-70 -133.11 84.5 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.2 110.829 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.625 ' CG2' HG22 ' A' ' 93' ' ' THR . 22.1 mm -78.04 -2.34 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 72.42 111.136 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -88.78 24.36 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.845 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.654 HG22 ' CE ' ' A' ' 45' ' ' LYS . 1.3 pt -151.5 27.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 71.34 111.14 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.6 pm0 -56.59 -36.22 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.894 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.416 ' HB2' ' HB2' ' A' ' 91' ' ' PRO . 20.9 t -59.16 -74.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 71.34 110.857 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.654 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.33 -46.31 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 72.22 110.887 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.755 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 87.1 mt -55.86 -73.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 72.14 111.103 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 1.019 HD12 HD11 ' A' ' 101' ' ' LEU . 41.9 mm -47.2 -48.02 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 45.24 111.107 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -56.79 -44.19 81.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 61.44 110.858 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.7 tp -57.47 -68.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 74.03 110.909 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.4 pt -45.5 -46.39 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 54.31 111.095 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.535 HD13 HG21 ' A' ' 104' ' ' VAL . 47.5 mt -55.45 -59.14 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 73.1 111.115 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.59 -48.24 75.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.885 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.719 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.6 t80 -51.37 -39.28 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 63.43 110.92 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.4 t -64.89 -70.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 74.43 110.839 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -20.94 25.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 63.31 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.2 mt -51.96 -79.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.686 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -87.87 169.83 13.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 50.13 110.866 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.81 -158.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 75.51 112.326 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -30.67 -52.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 61.12 110.881 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 59' ' ' ASP . 13.2 p -32.32 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.849 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.686 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.8 m80 -61.77 -40.51 95.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.52 110.859 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.6 mmtt -42.17 -62.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 62.42 110.937 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 15.0 tp -59.21 -55.76 30.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 72.02 110.889 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.26 -64.46 3.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 61.55 112.554 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -44.53 36.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 71.34 110.874 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.586 HD22 ' CD2' ' A' ' 127' ' ' LEU . 0.5 OUTLIER -48.1 -55.37 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 72.43 110.915 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.564 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 14.6 m-85 -55.75 -45.95 77.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.906 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.97 -51.19 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 74.4 111.117 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.592 HG23 HD22 ' A' ' 101' ' ' LEU . 14.0 mt -57.53 -37.78 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.146 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.39 -55.36 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 62.34 110.858 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.7 p -56.65 -57.97 10.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.881 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.405 HG12 ' HA ' ' A' ' 33' ' ' THR . 61.6 mt -54.58 -44.18 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 74.25 111.14 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.57 -62.32 6.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 63.21 112.466 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -53.47 19.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 63.15 110.89 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.846 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -56.19 -59.77 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 62.51 111.113 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.651 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.6 m-30 -49.71 -46.74 50.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 72.31 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -53.21 -63.87 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 70.03 110.954 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -38.79 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 63.14 110.883 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.638 ' HG3' HD23 ' A' ' 37' ' ' LEU . 8.2 mm-40 -55.27 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 71.23 110.919 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 76' ' ' TYR . 2.7 t -52.37 -45.63 65.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 73.41 111.129 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.578 ' CD ' HD12 ' A' ' 77' ' ' LEU . 38.5 mtm180 -50.99 -39.47 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 70.01 110.84 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -52.37 -29.88 26.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 50.03 110.836 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -113.73 -76.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 74.34 110.9 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 m -164.87 122.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.919 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 73.04 110.903 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 44' ' ' SER . 54.3 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.793 0.247 . . . . 75.32 112.376 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.88 -38.84 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 42.33 112.457 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.625 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -156.28 -175.36 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 72.44 111.117 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.441 ' SG ' HD12 ' A' ' 40' ' ' ILE . 82.0 m -47.62 -36.26 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.884 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.92 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 73.31 111.113 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -53.52 -34.79 59.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 50.54 110.877 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.66 -56.42 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.23 111.111 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 77' ' ' LEU . 54.4 mt -57.33 -55.88 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 72.35 111.152 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -43.53 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.1 110.888 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.2 m -56.38 -55.14 37.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 73.24 111.127 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.019 HD11 HD12 ' A' ' 47' ' ' ILE . 3.1 mt -54.74 -53.33 56.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 63.22 110.899 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.11 -15.94 31.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 44.21 112.484 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.62 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -92.48 -8.82 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 72.51 110.906 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.62 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.9 m -124.45 -14.81 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 64.13 111.107 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.829 HG13 HD12 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -50.82 -30.56 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 64.33 111.098 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.461 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -47.55 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.926 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.05 -37.02 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.886 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -55.89 -74.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 61.51 110.925 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.862 HD13 HD12 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -51.5 -64.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.912 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 89.9 p -36.37 -63.75 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 74.2 110.834 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -50.48 -48.65 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.855 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.59 -56.59 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 51.13 111.095 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.578 HG12 HG21 ' A' ' 124' ' ' ILE . 4.1 mt -54.33 -52.41 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 52.32 111.131 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.79 -68.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 42.25 111.09 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.7 -50.09 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.907 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 4.2 m -54.17 158.36 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 72.52 110.895 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.492 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -97.72 -175.02 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 50.23 110.908 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.619 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.0 tt0 -44.31 -51.62 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.911 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -62.69 -69.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 64.13 110.872 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.492 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 15.7 m170 -47.3 -59.18 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.31 110.822 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.88 -38.84 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.926 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.3 -44.37 97.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 60.53 110.841 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -57.07 -48.81 77.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.931 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.578 HG21 HG12 ' A' ' 113' ' ' ILE . 69.3 mt -57.43 -50.16 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 54.45 111.091 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -52.66 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.857 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -46.55 81.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 73.01 110.884 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.791 HD12 ' HG3' ' B' 1009 ' ' PRO . 15.8 tp -50.29 -51.97 40.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.949 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.653 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.77 -48.26 78.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 55.01 110.954 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.08 -51.89 39.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.858 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.407 HG21 ' HG2' ' B' 1009 ' ' PRO . 61.9 mt -58.53 -41.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 70.22 111.098 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.567 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 38.7 m0 -50.69 -61.05 2.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 72.15 110.943 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -55.93 -52.46 64.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 61.32 110.833 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -53.29 -70.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.876 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 25.31 110.832 -179.785 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.78 0.324 . . . . 60.14 111.062 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.862 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -71.15 -25.08 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 73.52 111.152 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 145' ' ' ILE . 9.1 ttt180 -36.53 -45.15 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 64.45 110.84 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.9 t -84.83 108.1 17.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 71.11 110.882 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -50.01 -16.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 73.1 110.909 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' CYS . . . . . 0.412 ' HA ' ' CG ' ' A' ' 152' ' ' MET . 26.5 p -41.5 -37.31 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.902 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.658 ' CD1' ' N ' ' A' ' 151' ' ' ALA . 10.9 p90 -60.01 -53.47 57.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.853 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.658 ' N ' ' CD1' ' A' ' 150' ' ' PHE . . . -58.52 -60.9 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 74.1 111.094 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.412 ' CG ' ' HA ' ' A' ' 149' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 72.24 110.842 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 4.8 p30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.629 0.728 . . . . 62.31 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1009 ' ' PRO . . . . . 0.791 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.8 Cg_endo -69.74 -13.43 34.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 61.11 112.369 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.918 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.767 0.318 . . . . 71.43 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -91.81 73.47 5.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 70.32 110.896 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 57.08 37.12 28.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.91 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -122.94 130.25 52.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 54.21 110.869 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 t0 65.12 38.69 5.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -164.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.925 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -49.85 -26.05 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 54.13 110.851 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -49.85 -58.01 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.905 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.31 -50.5 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 71.34 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.794 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 43.9 t80 -55.3 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 63.41 110.886 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -48.55 -44.47 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 64.33 111.136 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.05 -49.8 65.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.22 111.067 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 28' ' ' ARG . 85.5 m -56.97 -53.58 56.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 73.43 111.176 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.6 tp -55.96 -52.36 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 50.03 110.957 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.68 -56.05 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.925 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -56.35 -31.67 63.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 72.31 110.86 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.524 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -57.13 -62.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.848 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -56.68 -35.94 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 74.14 110.893 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.21 -22.05 26.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 44.42 110.888 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.55 170.78 11.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.925 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.56 62.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.876 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t 68.96 35.76 2.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.889 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -89.1 -53.81 2.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.707 -0.758 . . . . 63.41 112.491 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 17' ' ' PHE . 5.0 mt 58.94 80.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 70.15 111.123 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -86.04 131.52 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.51 -34.82 64.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 70.02 112.448 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -48.67 -54.53 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 53.22 110.858 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.58 ' O ' HG21 ' A' ' 13' ' ' THR . 10.6 mpt_? -50.99 -54.92 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 74.24 110.893 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.513 ' HA ' HD12 ' A' ' 32' ' ' LEU . 61.7 mt -50.49 -45.43 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 70.34 111.084 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 34' ' ' THR . 20.5 mtmt -55.67 -54.95 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.31 110.918 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -49.55 -50.06 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.15 110.857 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.2 mt -57.49 -48.55 78.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 62.4 110.952 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.403 ' HA ' HG12 ' A' ' 72' ' ' ILE . 4.4 m -58.03 -70.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 64.5 111.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 35' ' ' TYR . 10.0 t -42.73 -45.11 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 63.04 111.13 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.478 ' N ' HG23 ' A' ' 34' ' ' THR . 7.8 t80 -58.65 -55.05 40.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 63.3 110.961 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.689 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.08 -57.37 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 75.3 111.111 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.703 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.0 mp -57.58 -46.43 84.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 65.53 110.88 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -56.05 -26.23 48.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 54.23 110.892 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CB ' HD11 ' A' ' 42' ' ' ILE . 68.3 m80 -132.59 85.39 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.865 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.597 HG22 HG22 ' A' ' 93' ' ' THR . 21.0 mm -77.69 -1.29 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 63.34 111.128 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.14 22.46 3.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.841 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.667 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.4 pt -150.81 29.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 63.51 111.135 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.5 OUTLIER -58.4 -33.44 69.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.924 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -59.48 -73.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 72.11 110.825 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.504 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.96 -47.23 21.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 61.42 110.87 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.794 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 69.7 mt -56.3 -72.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 73.12 111.192 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.812 HD12 HD11 ' A' ' 101' ' ' LEU . 41.9 mm -46.83 -46.37 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 64.3 111.149 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.7 m -58.1 -44.43 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 42.3 110.853 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.497 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.8 tp -56.7 -66.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.22 110.91 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.583 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.9 pt -47.33 -46.07 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 63.34 111.094 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.455 HD13 HG21 ' A' ' 104' ' ' VAL . 46.2 mt -55.33 -57.6 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 74.13 111.12 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -47.08 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 72.24 110.889 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.686 ' HA ' HD12 ' A' ' 56' ' ' LEU . 4.5 t80 -51.18 -40.3 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 72.03 110.923 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 t -65.92 -69.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 70.34 110.869 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -22.69 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.902 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.6 mt -51.29 -78.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 64.23 110.917 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.657 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -89.43 169.26 13.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 62.2 110.916 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.9 Cg_endo -69.75 -158.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.246 . . . . 72.55 112.334 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' A' ' 58' ' ' PRO . 50.9 t0 -31.12 -50.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 75.53 110.917 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' ASP . 24.9 t -35.09 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.87 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.657 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 7.9 m170 -59.83 -39.37 84.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 45.11 110.833 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -43.58 -62.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 45.15 110.903 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.414 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 17.4 tp -57.47 -54.99 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.903 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.42 -64.57 3.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 71.32 112.513 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -48.79 -45.08 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 72.14 110.859 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -48.53 -53.98 16.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 72.42 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.414 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 11.0 m-85 -56.1 -46.3 79.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.887 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.482 HD13 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -56.76 -54.07 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 72.13 111.154 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 65' ' ' SER . 5.1 mt -57.12 -37.11 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 71.31 111.113 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.75 -56.18 23.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 64.11 110.849 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.85 -55.4 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 61.22 110.87 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 33' ' ' THR . 81.5 mt -55.25 -46.95 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 72.22 111.15 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.29 -56.13 23.09 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 74.32 112.495 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.622 ' HG2' HD21 ' A' ' 136' ' ' LEU . 3.4 mtm105 -50.9 -57.43 8.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 53.33 110.874 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.703 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -55.62 -56.62 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 63.31 111.122 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.689 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.2 m-30 -49.81 -52.2 34.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.93 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.65 HD22 ' HA ' ' A' ' 136' ' ' LEU . 4.8 tp -50.25 -55.8 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 65.12 110.903 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.96 -43.54 73.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.868 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.533 ' HG3' HD23 ' A' ' 37' ' ' LEU . 10.4 mm-40 -55.85 -69.12 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.895 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 76' ' ' TYR . 4.9 t -55.09 -41.38 71.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 62.41 111.12 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -54.75 -40.56 69.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.02 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.2 m -51.62 -29.72 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 55.02 110.837 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -107.43 -74.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 65.31 110.885 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 p -176.86 114.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 65.02 110.839 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -81.77 102.89 11.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 54.54 110.864 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 p -140.75 142.66 34.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.889 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 p -168.9 173.28 7.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 70.13 110.891 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -139.01 -63.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 61.13 110.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -154.08 157.08 38.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.897 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt 64.34 153.85 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 75.24 110.927 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.3 Cg_endo -69.73 174.73 9.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 63.41 112.35 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 93' ' ' THR . . . 172.51 -40.45 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.799 -0.715 . . . . 54.41 112.528 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.597 HG22 HG22 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -166.34 -173.72 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 65.15 111.139 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.462 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.3 m -42.29 -53.65 4.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.854 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.96 -64.21 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 74.42 111.127 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 62.4 m-70 -53.06 -37.5 61.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.907 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 94' ' ' CYS . . . -55.57 -61.87 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 64.21 111.063 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.1 mt -53.12 -45.7 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 71.11 111.096 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -56.21 -50.93 69.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 71.52 110.909 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.4 m -55.15 -51.66 65.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 74.42 111.166 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.812 HD11 HD12 ' A' ' 47' ' ' ILE . 21.9 mt -54.15 -52.35 61.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.903 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.82 -15.76 28.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 72.13 112.452 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.62 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -91.93 -7.37 49.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 75.52 110.863 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.62 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.6 m -125.87 -14.37 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.32 111.116 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.836 HG13 HD12 ' A' ' 109' ' ' LEU . 3.3 tp -49.25 -30.09 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.03 111.143 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.421 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -51.79 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.912 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -55.27 -40.09 70.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.886 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.0 -69.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 55.32 110.91 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.836 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -51.87 -69.48 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 71.41 110.948 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 109' ' ' LEU . 77.9 p -34.85 -60.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.86 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -52.66 -53.11 51.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 61.34 110.863 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.69 -57.21 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 55.44 111.062 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 124' ' ' ILE . 3.7 mt -55.67 -49.73 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 52.4 111.132 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.87 -66.65 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 55.35 111.118 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -25.87 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 73.33 110.92 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.412 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 9.8 m -79.17 157.19 27.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 44.5 110.853 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.41 -176.02 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.941 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.6 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 66.8 tt0 -38.05 -52.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 72.1 110.863 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.74 -74.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 72.42 110.862 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -45.76 -58.39 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.788 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.06 -38.38 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 64.22 110.936 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -62.01 -45.16 94.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 71.12 110.915 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -57.59 -49.18 77.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 61.43 110.863 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.64 HG21 HG12 ' A' ' 113' ' ' ILE . 61.4 mt -57.43 -49.9 78.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 71.4 111.128 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -50.59 -52.28 40.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.897 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.8 ttm -56.59 -51.53 68.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 54.01 110.892 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.584 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 18.5 tp -51.68 -46.28 63.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 61.44 110.952 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.455 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.8 OUTLIER -56.19 -47.9 77.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 72.15 110.937 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -54.45 -51.82 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.14 110.859 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 72.4 mt -56.78 -41.68 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 72.3 111.113 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.584 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 21.2 m0 -54.48 -58.71 6.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.933 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -54.87 -48.92 72.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 63.23 110.867 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -55.27 -56.51 19.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 73.1 110.877 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.1 t -53.07 -61.23 2.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.832 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 125.18 35.45 0.62 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 74.12 112.473 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.65 ' HA ' HD22 ' A' ' 77' ' ' LEU . 3.6 mp -71.56 -77.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 53.13 110.888 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -94.53 82.95 4.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 62.4 110.884 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -74.41 68.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 64.12 110.887 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -117.14 12.43 14.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.902 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.4 m 59.66 49.67 8.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 61.52 110.873 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 56.46 92.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.41 110.919 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.882 HD13 ' H ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -58.74 155.73 12.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 61.24 110.941 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.476 ' O ' ' O ' ' A' ' 144' ' ' ALA . 80.4 m-20 -42.39 -39.96 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 63.14 110.881 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.85 ' HB3' HD23 ' A' ' 142' ' ' LEU . . . -33.85 -95.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 65.44 111.125 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.624 HD11 HD21 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -70.53 -20.37 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 65.05 111.168 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.463 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 10.0 ttt180 -38.09 -54.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 63.11 110.853 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 96.2 p -71.46 99.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 55.25 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -43.8 -26.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 73.41 110.878 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 5.5 m -46.98 -27.48 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 72.13 110.882 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.709 ' CG ' ' N ' ' A' ' 151' ' ' ALA . 10.6 p90 -55.24 -60.18 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.932 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.709 ' N ' ' CG ' ' A' ' 150' ' ' PHE . . . -66.73 -44.4 81.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 64.12 111.124 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 9.5 mmt -53.99 -44.47 70.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.912 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.73 -61.35 2.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 63.43 110.807 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.626 HD13 HG22 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -62.0 -24.9 67.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.921 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 97.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 51.34 110.925 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.26 -174.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 72.52 110.844 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -63.27 99.37 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 71.31 110.862 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -172.8 147.59 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 62.23 110.851 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -78.55 161.07 27.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.25 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -171.26 -177.06 2.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.847 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.887 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.816 0.341 . . . . 74.52 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 26.6 t0 -80.95 95.27 6.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.1 110.863 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 4.6 t0 -159.04 33.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.875 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 53.79 41.1 32.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 71.12 110.903 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -63.62 177.89 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 75.13 110.853 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 61.99 82.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 54.31 112.518 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 14.3 t80 -94.33 112.77 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.844 0.354 . . . . 65.44 110.901 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -94.46 136.89 22.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 72.44 110.908 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -25.56 28.61 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.692 2.262 . . . . 72.52 112.371 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -14.19 60.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.975 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 11.9 p -130.0 118.79 22.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 74.53 111.165 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 8.2 tt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 44.15 110.929 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.4 mmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.703 0.287 . . . . 52.33 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -147.87 171.09 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.945 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -74.23 -22.14 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 43.12 110.891 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -55.4 -26.33 40.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.831 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -133.29 70.94 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 60.12 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -105.01 -164.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 63.42 110.877 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -44.23 -35.53 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.863 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -55.02 -54.84 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -52.94 -50.98 62.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 60.02 110.917 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.801 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 38.8 t80 -55.57 -70.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 75.51 110.852 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -48.01 -44.1 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 72.53 111.117 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.2 -50.79 63.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.43 111.049 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.59 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.1 m -56.98 -52.54 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.11 111.161 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 14.3 tp -55.6 -54.67 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 61.12 110.933 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -50.15 -56.74 9.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 62.51 110.857 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 t -56.75 -29.95 63.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 74.1 110.86 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.492 ' CD2' HD11 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -55.76 -63.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.842 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -56.93 -37.27 71.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 63.31 110.906 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -55.78 -28.34 55.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 71.35 110.861 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 17' ' ' PHE . 15.8 mt -54.64 175.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.905 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -24.81 21.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.921 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 p -111.52 -52.24 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.901 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.616 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 114.08 23.74 4.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 34.33 112.497 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.678 HD11 ' HG ' ' A' ' 63' ' ' LEU . 22.2 mm -138.43 141.62 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.347 . . . . 73.24 111.139 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.3 122.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 61.24 110.861 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.38 -62.09 6.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 43.52 112.465 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.2 m -49.38 -47.77 47.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 71.44 110.864 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.59 ' O ' HG21 ' A' ' 13' ' ' THR . 9.5 mpt_? -54.49 -68.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 71.45 110.914 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -47.95 -43.15 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.112 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.65 ' O ' HG22 ' A' ' 34' ' ' THR . 20.0 mttt -55.65 -54.13 47.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.926 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -51.51 -48.13 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.53 110.901 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD23 ' CD1' ' A' ' 10' ' ' PHE . 16.6 mt -57.75 -51.62 68.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.921 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.428 HG23 ' HA ' ' A' ' 72' ' ' ILE . 6.1 m -57.6 -71.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.4 111.126 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.6 t -42.18 -45.34 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 65.41 111.101 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.483 ' N ' HG23 ' A' ' 34' ' ' THR . 27.1 t80 -58.33 -53.79 54.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 72.21 110.928 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.699 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -50.13 -57.8 6.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 73.24 111.078 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.643 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.5 mp -57.33 -46.87 82.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.866 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -55.9 -25.56 43.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 63.45 110.863 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.631 ' HB2' HD11 ' A' ' 42' ' ' ILE . 30.5 m-70 -131.0 83.7 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 73.42 110.848 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.619 HG22 HG22 ' A' ' 93' ' ' THR . 17.5 mm -78.88 -1.66 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 72.32 111.119 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -90.29 15.34 10.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 73.1 110.881 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.631 HD11 ' HB2' ' A' ' 39' ' ' HIS . 3.0 pt -143.25 29.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 61.41 111.151 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.696 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.2 pm0 -57.95 -36.94 73.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.878 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 t -58.4 -72.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 64.22 110.874 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.84 -47.31 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 63.13 110.897 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.801 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 84.4 mt -55.8 -70.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 73.25 111.129 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.637 HD12 HD11 ' A' ' 101' ' ' LEU . 38.8 mm -47.46 -47.06 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 63.54 111.148 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -58.16 -41.91 84.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.52 110.896 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.531 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.0 tp -57.85 -66.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 71.35 110.891 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.514 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.4 pt -47.59 -45.94 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 72.41 111.117 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.1 mt -55.91 -60.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 63.41 111.133 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -56.39 -51.08 69.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.857 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.773 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -51.01 -36.01 37.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.919 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.622 ' OG ' HD22 ' A' ' 108' ' ' LEU . 4.3 p -63.69 -72.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.878 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.601 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.0 ptt85 -44.38 -32.85 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 73.24 110.85 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 53' ' ' TYR . 45.1 mt -60.8 -81.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.899 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 55.6 m -51.83 141.29 27.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.615 0.721 . . . . 71.33 110.853 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -99.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 75.4 112.363 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -68.34 -53.63 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 74.15 110.933 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.8 m -38.3 -49.51 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 43.33 110.87 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.595 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.7 -51.65 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.02 110.87 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.706 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.4 mtmp? -37.83 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.876 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.678 ' HG ' HD11 ' A' ' 24' ' ' ILE . 9.4 tp -62.85 -55.17 28.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 75.22 110.924 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.488 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -49.65 -76.6 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 70.34 112.526 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' GLY . 19.2 t -36.6 -59.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.969 0.414 . . . . 70.55 110.858 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.801 HD22 HD23 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -40.59 -54.5 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.948 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.602 ' CD2' HD12 ' A' ' 24' ' ' ILE . 3.3 m-30 -57.4 -48.77 78.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 73.15 110.941 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.492 HD11 ' CD2' ' A' ' 17' ' ' PHE . 69.3 mt -55.87 -55.55 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 65.12 111.169 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.8 mt -55.37 -37.31 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.117 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.87 -58.41 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 55.03 110.88 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -53.84 -62.09 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 61.24 110.843 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.428 ' HA ' HG23 ' A' ' 33' ' ' THR . 58.5 mt -52.06 -47.4 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 74.23 111.126 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.733 ' HA3' HD11 ' A' ' 136' ' ' LEU . . . -54.84 -55.23 28.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 54.33 112.538 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -56.81 11.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 73.34 110.918 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.643 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -56.08 -59.64 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.41 111.098 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.699 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.5 m-30 -48.6 -46.49 39.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.94 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 136' ' ' LEU . 29.5 tp -53.68 -56.4 17.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 75.11 110.915 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.2 -41.14 71.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 43.34 110.834 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.16 -72.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 62.12 110.864 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -55.18 -35.95 65.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.176 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -55.21 -44.65 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 72.3 110.861 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.62 -64.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 71.4 110.902 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -75.07 -75.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 65.23 110.862 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.18 146.33 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.901 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -107.72 35.3 3.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.904 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.57 89.65 6.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 74.31 110.862 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -134.19 177.35 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 63.31 110.82 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.4 t -125.55 -169.45 2.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 72.25 110.862 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.23 170.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.896 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt 63.09 160.59 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 73.32 110.893 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.6 Cg_endo -69.73 177.42 5.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.714 2.276 . . . . 64.32 112.364 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 93' ' ' THR . . . 167.46 -41.41 0.24 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 71.32 112.469 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.619 HG22 HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -171.52 -174.02 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 62.01 111.158 -179.865 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 p -40.65 -50.81 3.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.87 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.36 -61.94 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.23 111.054 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 61.4 m-70 -53.82 -39.9 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.886 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -53.71 -60.15 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 64.43 111.125 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.604 HD12 HG21 ' A' ' 80' ' ' THR . 50.7 mt -54.74 -45.24 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 53.41 111.126 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -55.42 -54.41 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.871 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.2 m -54.73 -49.83 69.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 75.02 111.124 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.637 HD11 HD12 ' A' ' 47' ' ' ILE . 38.2 mt -55.22 -56.94 14.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.898 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.91 -15.35 27.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 72.35 112.497 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.591 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -90.51 -8.6 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 64.22 110.899 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.591 HG13 ' HG2' ' A' ' 103' ' ' GLU . 4.2 m -123.94 -19.99 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 72.05 111.129 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.814 HG13 HD12 ' A' ' 109' ' ' LEU . 4.0 tp -46.63 -30.81 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 62.21 111.137 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.477 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -48.29 -74.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.3 110.95 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -51.51 -39.94 58.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 54.2 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.622 HD22 ' OG ' ' A' ' 54' ' ' SER . 51.3 mt -56.14 -71.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 60.22 110.918 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.814 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -52.14 -64.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.944 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 5.0 m -35.88 -64.9 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.843 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -49.4 -48.62 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 73.02 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.451 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.83 -57.2 13.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 60.41 111.115 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.687 HG22 ' CD1' ' A' ' 154' ' ' LEU . 2.7 mt -55.72 -45.14 79.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 75.14 111.1 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.1 -66.49 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 74.04 111.133 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -55.57 -56.3 21.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.32 110.91 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 77.3 p -39.06 143.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.868 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.474 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -92.4 -174.33 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.838 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.588 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.2 pp0? -43.33 -52.11 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.54 -68.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.477 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 12.1 m170 -47.94 -59.71 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.35 110.847 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -46.15 -37.53 7.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 75.25 110.904 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -60.89 -46.3 91.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.931 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -57.83 -49.12 77.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 72.23 110.933 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.652 HG12 HD13 ' A' ' 66' ' ' LEU . 57.8 mt -56.6 -49.85 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.114 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -50.93 -51.35 53.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 72.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.48 -50.89 68.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 63.45 110.85 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.801 HD23 HD22 ' A' ' 66' ' ' LEU . 38.3 tp -53.41 -43.67 68.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 52.34 110.925 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.73 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.5 OUTLIER -56.59 -48.82 76.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.51 110.903 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.49 -50.74 67.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 76.1 mt -57.38 -41.01 77.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 74.25 111.145 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.572 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 26.5 m0 -54.98 -59.22 5.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.96 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -55.33 -51.74 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 63.4 110.865 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -55.53 -69.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.867 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.5 t -55.11 -73.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.13 110.838 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 141.82 109.49 0.75 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 55.55 112.501 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.733 HD11 ' HA3' ' A' ' 73' ' ' GLY . 56.0 tp -123.2 -73.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 70.44 110.87 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -102.8 -53.89 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.898 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -154.15 167.55 29.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 64.31 110.864 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.91 75.61 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.864 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.54 49.8 20.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 61.45 110.862 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -117.95 4.65 12.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 74.33 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.609 HD13 HD11 ' A' ' 145' ' ' ILE . 2.1 mt -65.57 88.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 71.5 110.909 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -39.1 -39.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.24 110.889 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -41.82 -91.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 73.32 111.1 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.73 ' CB ' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -64.03 -27.08 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 72.11 111.162 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -39.48 -52.36 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 75.42 110.859 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 94.5 p -58.42 98.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 71.43 110.862 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -47.21 -28.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.12 110.926 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 48.5 t -47.76 -30.35 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.824 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -55.57 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 72.24 110.876 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.499 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -46.79 -45.98 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 53.42 111.165 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.406 ' CG ' ' N ' ' A' ' 153' ' ' ASP . 1.1 ptm -54.14 -46.72 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.903 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 152' ' ' MET . 22.3 t70 -66.49 -67.95 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 51.44 110.854 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.687 ' CD1' HG22 ' A' ' 113' ' ' ILE . 0.7 OUTLIER -49.76 -31.38 11.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 61.0 110.911 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.63 101.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.853 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -70.45 -171.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 71.41 110.848 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -54.74 105.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 71.51 110.848 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -171.1 -179.21 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 61.13 110.877 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -142.64 163.42 32.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 73.2 110.872 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -173.22 167.26 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.88 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 9.3 t60 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.816 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.832 0.349 . . . . 63.22 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -161.31 26.45 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -131.86 -50.84 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 71.3 110.824 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -175.23 -66.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.905 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 53.79 66.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 64.01 110.858 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 178.69 40.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 30.23 112.457 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 5.0 t80 -74.64 131.08 40.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.351 . . . . 75.31 110.981 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -108.21 137.04 19.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.707 . . . . 65.51 110.881 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . 0.416 ' HG3' HD13 ' A' ' 127' ' ' LEU . 53.9 Cg_endo -69.77 -18.52 36.91 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.711 2.274 . . . . 64.21 112.373 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.88 -19.76 58.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 61.54 110.908 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 10.6 p -142.15 120.18 12.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 62.31 111.125 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.864 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mtt . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.76 0.314 . . . . 72.34 110.831 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -145.49 -179.79 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.922 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -121.64 58.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 65.03 110.895 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -105.45 -26.41 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 71.42 110.831 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -140.13 60.81 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 63.13 110.851 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.77 -163.24 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 50.24 110.85 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' A' ' 11' ' ' VAL . 3.0 t80 -49.96 -25.11 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.854 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -48.72 -58.05 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 54.01 110.88 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.1 -51.66 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 63.51 110.882 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.793 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 32.3 t80 -55.94 -70.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 72.34 110.911 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.471 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -47.77 -45.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 72.34 111.104 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.24 -50.08 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.43 111.05 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.544 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.4 m -57.07 -53.41 58.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 72.13 111.127 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD23 ' HG ' ' A' ' 49' ' ' LEU . 12.0 tp -56.32 -53.83 52.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 71.32 110.933 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.0 -59.71 3.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 72.43 110.848 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -56.07 -30.44 61.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.861 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.445 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.1 t80 -56.84 -63.73 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.03 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -56.77 -37.29 70.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 64.42 110.935 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -55.69 -29.03 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.889 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 17' ' ' PHE . 18.2 mt -51.53 161.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.915 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -24.87 66.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 72.14 110.888 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 t -120.48 -50.71 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.825 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.59 31.6 3.17 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.69 -0.767 . . . . 52.51 112.469 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.719 HD11 ' HB3' ' A' ' 63' ' ' LEU . 2.5 mp -138.78 138.08 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 73.44 111.109 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 120.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 64.54 110.884 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.44 -47.43 76.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 74.24 112.53 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 t -45.4 -59.62 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 64.32 110.845 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.544 ' O ' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -51.72 -58.83 5.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.853 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.589 ' HA ' HD12 ' A' ' 32' ' ' LEU . 78.9 mt -49.12 -45.55 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 73.22 111.14 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 34' ' ' THR . 7.7 mmtp -53.03 -57.14 11.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.873 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -47.5 61.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 54.55 110.895 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 29' ' ' ILE . 4.7 mt -58.61 -52.4 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 62.55 110.921 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.471 HG23 ' HA ' ' A' ' 72' ' ' ILE . 1.9 m -56.51 -69.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.168 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.1 t -44.85 -44.92 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 55.3 111.156 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.475 ' N ' HG23 ' A' ' 34' ' ' THR . 24.5 t80 -58.1 -58.95 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.9 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.731 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -46.77 -57.35 4.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 54.32 111.094 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.583 HD21 ' HB1' ' A' ' 75' ' ' ALA . 5.0 mp -57.07 -48.42 78.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 65.24 110.963 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -55.94 -25.31 42.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 64.55 110.858 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.63 ' CB ' HD11 ' A' ' 42' ' ' ILE . 12.1 m-70 -129.9 83.36 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.14 110.804 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.619 HG22 HG22 ' A' ' 93' ' ' THR . 20.7 mm -77.89 -1.27 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 73.25 111.172 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -90.3 18.11 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 55.43 110.863 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.63 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.6 pt -147.57 30.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 60.24 111.094 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.5 pm0 -57.75 -36.76 72.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.841 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.1 t -57.64 -74.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 64.41 110.841 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.67 -46.36 19.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.872 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.793 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 78.6 mt -56.72 -70.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.12 111.118 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.533 HD12 ' HG ' ' A' ' 101' ' ' LEU . 36.3 mm -46.72 -49.17 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 53.44 111.148 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -42.24 82.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 72.45 110.813 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.504 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.1 tp -57.3 -66.7 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.913 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.527 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.5 pt -46.85 -45.84 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.141 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -56.43 -57.9 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.101 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -57.02 -49.62 75.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 64.22 110.826 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.775 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -51.36 -37.08 46.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.929 -179.802 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.578 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 9.3 p -63.04 -72.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 64.41 110.863 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.578 ' N ' ' OG ' ' A' ' 54' ' ' SER . 7.7 ptt85 -45.11 -32.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 72.43 110.916 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 53' ' ' TYR . 38.8 mt -60.75 -84.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.918 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -50.65 141.15 17.92 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.589 0.709 . . . . 65.54 110.9 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -100.36 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.718 2.279 . . . . 73.43 112.349 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -68.95 -53.27 21.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 52.51 110.856 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -38.44 -50.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 53.24 110.868 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -57.05 -52.19 66.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 71.3 110.864 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.756 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.9 mtmp? -36.78 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 64.4 110.915 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.77 HD12 ' CE2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -61.51 -58.13 9.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.918 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.96 -76.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.493 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' GLY . 21.3 t -35.79 -58.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 74.34 110.827 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -41.38 -55.12 2.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 75.1 110.918 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.77 ' CE2' HD12 ' A' ' 63' ' ' LEU . 8.1 m-85 -56.45 -45.99 80.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.2 110.958 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.94 -56.0 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 71.51 111.137 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 105' ' ' ILE . 36.9 mt -55.91 -36.85 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 64.51 111.156 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -57.18 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 73.24 110.835 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.09 -64.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 61.34 110.847 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.471 ' HA ' HG23 ' A' ' 33' ' ' THR . 83.3 mt -55.33 -33.98 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 63.42 111.123 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.26 -69.43 1.28 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.72 . . . . 74.51 112.465 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.671 ' NH1' HD12 ' B' 1012 ' ' LEU . 3.3 ptt85 -55.19 -38.46 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 72.33 110.858 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.583 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -60.02 -61.0 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 72.21 111.096 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.731 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 3.0 m-30 -53.81 -46.86 71.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 71.5 110.936 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.404 HD11 ' HZ1' ' A' ' 139' ' ' LYS . 15.0 tp -52.38 -53.82 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.501 . . . . 74.33 110.906 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -43.72 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.898 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.23 -71.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.865 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -53.1 -40.06 63.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 55.34 111.125 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -55.46 -37.64 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.878 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -50.11 -32.92 17.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 61.41 110.873 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -119.67 -76.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 70.02 110.843 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -166.62 164.64 16.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.839 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -98.22 -169.85 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 62.44 110.871 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.443 ' H ' ' HB1' ' A' ' 95' ' ' ALA . 1.7 t -136.69 -169.46 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 53.31 110.877 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.4 t -63.6 -169.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.45 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.9 p -145.64 94.4 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 73.31 110.815 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -170.26 -62.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 62.34 110.912 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 159.3 40.57 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.586 0.708 . . . . 62.24 110.886 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.3 Cg_endo -69.81 163.57 37.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 73.35 112.323 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 93' ' ' THR . . . 176.8 -37.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 54.52 112.49 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.619 HG22 HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -168.77 -174.54 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 72.22 111.169 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -42.33 -50.68 5.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 73.34 110.834 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' HB1' ' H ' ' A' ' 86' ' ' SER . . . -50.81 -64.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 72.12 111.086 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 42.7 m80 -51.43 -41.54 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 72.52 110.827 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.621 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -54.62 -57.28 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 31.13 111.128 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.772 HG23 ' CE1' ' A' ' 137' ' ' PHE . 20.2 mt -52.21 -49.89 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 63.41 111.088 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -55.27 -54.98 36.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.893 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.6 m -50.04 -57.13 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.124 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.533 ' HG ' HD12 ' A' ' 47' ' ' ILE . 62.7 mt -49.69 -59.56 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.912 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.55 -14.43 21.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.675 -0.774 . . . . 34.43 112.493 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.545 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -88.09 -11.22 47.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 70.11 110.893 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.545 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.9 m -123.11 -20.61 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 72.42 111.107 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.773 HG13 HD12 ' A' ' 109' ' ' LEU . 3.5 tp -47.72 -30.99 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.24 111.136 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.462 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -49.1 -69.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 61.04 110.895 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.44 -39.83 73.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 105' ' ' ILE . 77.4 mt -55.09 -67.33 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.957 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.773 HD12 HG13 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -53.4 -63.82 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 54.25 110.862 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' LEU . 66.2 p -37.52 -67.25 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 50.42 110.905 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -48.2 -46.1 34.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 74.03 110.869 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.451 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -56.38 -59.05 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 73.33 111.064 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.73 HG22 HD13 ' A' ' 154' ' ' LEU . 2.4 mt -52.76 -50.07 43.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 73.33 111.112 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.18 -69.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.125 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -30.31 16.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 55.41 110.913 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.414 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 3.3 m -69.72 150.51 46.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.844 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.515 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -98.51 -172.86 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.889 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.633 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.6 mt-30 -44.52 -51.78 8.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 71.53 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -63.06 -66.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 71.35 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.515 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 43.2 m170 -48.59 -59.92 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 73.15 110.904 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.2 OUTLIER -45.91 -38.4 7.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.888 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -45.7 93.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 75.31 110.885 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -58.14 -50.08 74.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 62.25 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.619 HG12 HD13 ' A' ' 66' ' ' LEU . 52.6 mt -57.6 -48.9 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.01 111.129 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -52.0 -51.08 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 73.54 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.1 ttm -55.63 -54.24 46.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 52.4 110.866 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.814 HD12 ' HG3' ' B' 1009 ' ' PRO . 10.9 tp -50.36 -45.55 55.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 55.32 110.921 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.697 HD11 HD12 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -57.15 -49.12 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.889 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -51.7 -50.7 59.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 74.2 110.891 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.548 HG21 ' HG2' ' B' 1009 ' ' PRO . 62.4 mt -59.18 -39.53 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 64.13 111.135 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.695 ' CD2' HD22 ' A' ' 136' ' ' LEU . 38.4 m0 -52.36 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 74.3 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -55.75 -49.16 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.855 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -55.36 -71.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.858 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.0 t -56.6 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.843 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 167.17 139.36 2.65 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.744 -0.741 . . . . 53.44 112.472 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.695 HD22 ' CD2' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -175.74 -168.57 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 72.21 110.926 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.772 ' CE1' HG23 ' A' ' 98' ' ' ILE . 7.8 m-30 -51.19 -31.07 18.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.905 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.529 HE22 HD23 ' A' ' 128' ' ' LEU . 16.4 mt-30 -69.78 85.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.21 110.923 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.404 ' HZ1' HD11 ' A' ' 77' ' ' LEU . 4.9 mmpt? -60.35 -19.48 55.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.893 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 64.9 m -162.56 -42.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 63.44 110.873 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -173.8 111.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 74.44 110.937 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.743 HD21 HG21 ' A' ' 105' ' ' ILE . 6.7 tp -68.84 107.19 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.951 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.433 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 5.4 t-20 -40.94 -39.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.886 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -40.31 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 55.11 111.122 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.697 HD12 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -65.09 -27.99 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.1 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.433 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 0.8 OUTLIER -36.44 -53.48 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.852 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.5 t -50.95 102.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 73.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -47.86 -29.74 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 55.21 110.915 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.25 -30.97 19.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 65.45 110.911 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -55.92 -87.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 70.23 110.826 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.524 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -48.44 -43.34 34.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 73.1 111.131 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.442 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 12.3 mtp -53.76 -50.91 64.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 55.54 110.894 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -63.68 -67.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.879 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.73 HD13 HG22 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -49.55 -32.41 12.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.911 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -48.46 101.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.4 110.865 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -63.85 -32.37 73.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 70.4 110.838 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -51.93 140.96 18.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 62.23 110.849 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -80.44 154.7 27.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 72.23 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -110.14 174.1 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 74.45 110.883 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -52.42 169.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.3 110.823 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.853 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.739 0.304 . . . . 75.4 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -101.02 28.61 5.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 75.03 110.818 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.19 30.22 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 71.22 110.85 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.22 -75.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 65.43 110.832 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 54.52 76.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 75.51 110.891 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 106.27 93.59 2.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.723 . . . . 62.51 112.507 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -119.57 147.96 43.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.379 . . . . 62.1 110.952 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . 0.513 ' O ' HG22 ' B' 1011 ' ' THR . 2.7 t-20 -82.27 137.1 45.81 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 61.23 110.933 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . 0.814 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.8 Cg_endo -69.75 -23.57 30.71 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.678 2.252 . . . . 71.13 112.321 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . 0.404 ' CD2' HG23 ' A' ' 130' ' ' ILE . 0.5 OUTLIER -57.57 -19.59 26.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.884 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . 0.513 HG22 ' O ' ' B' 1008 ' ' ASN . 1.4 t -41.83 -47.82 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 62.23 111.17 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.671 HD12 ' NH1' ' A' ' 74' ' ' ARG . 42.5 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.983 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.9 mtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.733 0.301 . . . . 52.45 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -135.3 126.72 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.904 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -102.39 40.64 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 72.02 110.937 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.34 -25.25 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.89 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -120.49 -22.09 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 64.21 110.863 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.67 -97.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 52.2 110.874 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -55.97 -31.83 63.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.864 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -57.12 -56.86 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 65.45 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.76 -51.76 62.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 64.11 110.836 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.782 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 28.9 t80 -55.07 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.873 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -48.33 -44.02 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 75.02 111.106 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.23 -49.86 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 34.04 111.11 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.534 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.1 m -56.84 -52.87 63.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 75.0 111.153 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD1' HD13 ' A' ' 68' ' ' ILE . 11.8 tp -55.9 -54.47 44.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.13 110.955 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -50.08 -58.47 5.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.882 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -56.91 -28.93 62.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 64.32 110.868 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.745 ' CD2' HD11 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -56.16 -62.92 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.923 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -57.59 -36.21 71.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 71.13 110.898 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -54.76 -24.55 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 65.1 110.842 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.531 HD12 ' HD1' ' A' ' 17' ' ' PHE . 20.9 mt -54.64 177.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.942 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -16.88 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 71.31 110.882 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -125.73 -54.66 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 71.01 110.833 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.56 ' C ' HD12 ' A' ' 24' ' ' ILE . . . 110.1 35.46 2.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 62.12 112.483 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.56 HD12 ' C ' ' A' ' 23' ' ' GLY . 4.3 mp -148.21 112.05 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 73.33 111.091 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.56 121.66 5.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.904 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.95 -42.05 85.81 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.725 -0.75 . . . . 55.12 112.451 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -48.57 -57.72 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 52.14 110.885 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.534 ' O ' HG21 ' A' ' 13' ' ' THR . 6.5 mpt_? -53.78 -58.66 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 74.11 110.877 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.48 HG23 ' HA ' ' A' ' 68' ' ' ILE . 67.3 mt -49.53 -43.94 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 64.12 111.185 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 34' ' ' THR . 8.1 mttp -55.14 -54.31 44.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 63.23 110.888 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.39 -50.26 65.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 70.41 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.556 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.4 mt -57.79 -51.21 70.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 74.14 110.929 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.41 ' HA ' HG12 ' A' ' 72' ' ' ILE . 5.0 m -57.4 -72.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 64.2 111.142 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.4 t -42.49 -43.74 3.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 75.35 111.133 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' HG23 ' A' ' 34' ' ' THR . 10.2 t80 -57.36 -57.53 12.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.905 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.481 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.72 -51.1 41.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 72.52 111.085 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.518 ' HA ' HD11 ' A' ' 40' ' ' ILE . 4.0 mm? -56.75 -50.08 73.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.934 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -57.21 -27.1 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.849 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.682 ' HB2' HD11 ' A' ' 42' ' ' ILE . 18.3 m-70 -130.09 85.29 2.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 65.41 110.851 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 40' ' ' ILE . 31.0 mm -80.47 -1.69 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 71.52 111.121 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -90.25 23.43 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 63.12 110.82 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.682 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.7 pt -148.11 30.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.21 111.144 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.696 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.8 pp20? -57.64 -37.17 72.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 64.34 110.891 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 t -57.82 -74.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 74.52 110.856 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.494 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.05 -47.41 22.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 62.3 110.886 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.782 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 86.8 mt -55.94 -70.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 74.21 111.159 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.894 HD12 HD11 ' A' ' 101' ' ' LEU . 38.0 mm -48.02 -47.0 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.43 111.071 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.4 m -57.27 -44.54 84.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 64.21 110.839 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD23 ' CE2' ' A' ' 10' ' ' PHE . 17.1 tp -56.99 -67.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.852 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.8 pt -46.61 -46.46 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.53 111.115 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.653 HD13 HG21 ' A' ' 104' ' ' VAL . 54.1 mt -56.95 -56.47 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 52.5 111.09 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.56 -51.02 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 71.31 110.86 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.73 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.7 t80 -51.83 -38.05 54.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.907 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.1 t -63.33 -75.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 52.14 110.814 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -30.38 27.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 72.34 110.85 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.8 mt -42.48 -77.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 51.32 110.932 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.678 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -89.2 169.28 13.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 72.51 110.916 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.5 Cg_endo -69.78 -158.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.654 2.236 . . . . 71.04 112.35 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -31.96 -50.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.24 110.913 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 59' ' ' ASP . 61.7 m -33.28 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 62.44 110.856 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.678 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 12.2 m170 -60.98 -38.61 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 72.22 110.863 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -45.29 -62.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.92 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.99 -59.18 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.92 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.72 -64.17 3.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 72.12 112.468 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -45.99 32.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.934 0.397 . . . . 52.22 110.845 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mt -47.84 -53.92 14.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 70.31 110.886 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -55.93 -46.44 78.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.919 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.745 HD11 ' CD2' ' A' ' 17' ' ' PHE . 22.8 mt -57.08 -52.99 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 55.23 111.099 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.579 HG12 HD12 ' A' ' 50' ' ' ILE . 54.4 mt -56.88 -37.98 56.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.1 111.133 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -56.05 -55.31 34.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 61.0 110.853 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -55.97 -56.97 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 54.24 110.871 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' A' ' 33' ' ' THR . 81.2 mt -55.03 -45.86 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 53.31 111.11 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.79 -56.15 24.07 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 61.24 112.485 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.647 ' HG2' HD21 ' A' ' 136' ' ' LEU . 0.1 OUTLIER -51.42 -57.7 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 73.4 110.904 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -55.13 -49.53 71.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 63.11 111.088 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.536 ' O ' HG22 ' A' ' 80' ' ' THR . 2.0 m-85 -55.16 -51.89 65.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 65.33 110.928 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.709 HD22 ' HA ' ' A' ' 136' ' ' LEU . 9.4 tp -51.09 -56.52 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 72.35 110.927 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -42.25 71.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 37' ' ' LEU . 22.1 mm-40 -56.26 -72.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.876 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 76' ' ' TYR . 2.5 t -52.95 -45.28 67.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 73.55 111.185 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -54.95 -35.79 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.915 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.15 -29.94 24.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.859 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -75.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 75.41 110.876 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t -178.21 154.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 65.5 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -74.39 -173.46 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 75.13 110.925 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.2 m -120.69 -170.21 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 65.24 110.859 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.6 t -60.59 -25.08 65.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 64.21 110.871 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 t 63.13 27.96 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.854 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -107.92 -31.91 7.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 64.31 110.907 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -141.17 160.85 56.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 74.51 110.892 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.63 66.86 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 72.14 112.329 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.9 -37.64 0.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 61.34 112.524 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.486 HG22 HG22 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -152.81 -176.08 5.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.743 0.306 . . . . 73.42 111.171 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.458 ' SG ' HD12 ' A' ' 40' ' ' ILE . 79.6 m -47.86 -36.58 12.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 75.5 110.907 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.44 -72.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 74.52 111.117 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -53.24 -34.8 58.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.43 110.866 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -57.2 -57.9 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 73.41 111.105 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.459 HD13 HD12 ' A' ' 77' ' ' LEU . 55.9 mt -56.15 -54.8 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 63.14 111.152 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -43.25 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 62.31 110.901 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.8 m -56.73 -56.62 19.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 72.45 111.111 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.894 HD11 HD12 ' A' ' 47' ' ' ILE . 17.1 mt -55.31 -48.84 73.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 64.53 110.918 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.6 -14.56 29.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 64.53 112.451 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.628 ' HG2' HG13 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -97.94 -4.87 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 71.11 110.888 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.653 HG21 HD13 ' A' ' 51' ' ' ILE . 4.6 m -126.91 -13.88 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.137 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.828 HG13 HD12 ' A' ' 109' ' ' LEU . 1.4 tp -48.8 -31.42 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.147 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.428 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -47.75 -71.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.879 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -56.18 -37.93 70.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.894 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 31.2 mt -55.69 -75.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 71.11 110.937 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.828 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -52.2 -61.9 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.892 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' LEU . 92.6 p -36.78 -62.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 75.45 110.88 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -55.35 -46.97 76.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 71.14 110.853 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.28 -58.74 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 54.51 111.073 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 109' ' ' LEU . 2.6 mt -52.49 -51.54 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.111 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' HB3' ' HE2' ' A' ' 115' ' ' LYS . . . -57.38 -65.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 64.42 111.159 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -54.88 -21.31 11.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 44.31 110.903 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.454 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 6.2 m -85.31 150.34 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.83 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -97.98 -173.4 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 74.53 110.869 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.622 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 14.8 mt-30 -42.62 -52.54 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 74.11 110.881 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -68.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.842 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.423 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 19.1 m170 -47.46 -59.27 3.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.52 -38.55 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 63.22 110.886 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -61.47 -44.76 96.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.413 . . . . 63.52 110.889 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -57.87 -49.42 76.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 71.44 110.908 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.438 ' CG2' HD23 ' A' ' 109' ' ' LEU . 62.2 mt -57.64 -50.4 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.1 111.136 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -52.41 38.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.883 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 ttm -55.85 -49.5 73.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.905 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.574 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 24.6 tp -51.06 -50.03 59.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 65.3 110.943 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.779 HD11 HG13 ' A' ' 145' ' ' ILE . 0.7 OUTLIER -55.28 -48.52 73.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 63.11 110.909 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -51.52 -49.42 61.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 73.21 110.857 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.9 mt -57.76 -43.04 83.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 61.1 111.144 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.574 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 45.5 m0 -53.58 -59.09 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 71.42 110.931 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -55.1 -49.87 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 75.42 110.85 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -53.5 -64.27 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 70.11 110.888 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.5 t -55.46 -66.04 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 72.34 110.836 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 129.86 77.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 61.45 112.478 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.709 ' HA ' HD22 ' A' ' 77' ' ' LEU . 2.5 mp -104.33 -76.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 61.1 110.922 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -92.14 14.74 15.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 62.25 110.894 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.79 175.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 71.52 110.886 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? 57.7 23.11 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 62.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.06 -55.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.859 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.643 ' C ' HD13 ' A' ' 142' ' ' LEU . 23.0 m-85 61.85 165.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.904 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.797 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -140.59 128.57 22.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 73.33 110.918 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.439 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 4.6 t30 -56.56 -21.29 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 62.42 110.898 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . -41.08 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 63.33 111.087 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.791 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.55 -24.15 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 62.21 111.14 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.439 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 5.5 ttt180 -42.53 -49.85 5.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.902 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.6 t -68.57 103.61 1.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.42 110.849 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -48.43 -26.78 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.884 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 2.6 m -46.91 -32.19 3.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 74.02 110.896 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.567 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 15.6 m-85 -57.83 -95.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 70.33 110.887 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 1.051 ' HA ' HD22 ' A' ' 154' ' ' LEU . . . -38.73 -39.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 75.24 111.086 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.401 ' O ' ' HG3' ' A' ' 155' ' ' GLU . 31.1 mtp -59.8 -69.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.881 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.59 -51.12 62.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 63.53 110.907 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.051 HD22 ' HA ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -46.92 -28.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 70.41 110.905 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.897 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -90.3 28.59 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 72.34 110.868 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 178.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.31 110.857 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -52.0 104.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 75.15 110.823 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -146.53 -176.69 5.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 61.53 110.87 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -55.27 144.61 24.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 63.4 110.857 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -150.42 -177.58 6.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.856 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 70.13 110.863 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.822 0.344 . . . . 75.13 110.83 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 5.0 t70 58.41 32.79 22.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 64.23 110.86 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 12.9 p30 -176.42 162.18 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 73.35 110.833 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.32 -26.5 63.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 64.01 110.909 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.03 -76.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 64.15 110.888 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . -62.2 115.36 7.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 53.43 112.499 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -96.22 102.01 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.918 0.39 . . . . 75.41 110.913 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 27.4 t30 -78.08 114.34 41.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.628 0.728 . . . . 71.1 110.915 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.22 36.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 61.13 112.358 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -9.54 58.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.883 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 11.8 p -85.1 156.44 21.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 70.3 111.163 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 55.14 110.912 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.703 0.287 . . . . 75.23 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -146.38 126.21 13.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 72.51 110.95 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -74.38 -26.16 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 73.45 110.897 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -65.74 -14.74 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 72.13 110.892 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -143.14 74.36 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 70.51 110.874 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -100.76 -163.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.899 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -46.82 -29.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 63.33 110.821 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -49.72 -58.08 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.921 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -53.53 -51.19 63.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.92 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.801 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 12.7 t80 -56.28 -68.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 74.1 110.886 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -48.49 -44.65 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 63.23 111.113 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -52.85 -50.53 63.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.15 111.064 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.553 HG21 ' O ' ' A' ' 28' ' ' ARG . 29.1 m -57.61 -52.19 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.15 111.15 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD21 ' HB3' ' A' ' 53' ' ' TYR . 10.1 tp -55.5 -55.48 31.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 72.2 110.93 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -49.41 -58.31 5.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.88 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 t -56.86 -28.73 62.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 72.35 110.891 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.548 ' HD1' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -56.38 -62.08 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 52.43 110.848 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -57.0 -35.15 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.915 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -55.53 -23.1 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 62.53 110.91 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.548 HD12 ' HD1' ' A' ' 17' ' ' PHE . 19.0 mt -57.35 -176.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.923 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -10.03 16.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.914 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.6 m -122.68 -51.41 1.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 72.52 110.816 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.584 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 107.58 21.61 7.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 41.13 112.528 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.727 HD11 ' HG ' ' A' ' 63' ' ' LEU . 32.8 mm -140.23 117.7 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 74.13 111.109 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.6 m -152.77 119.06 5.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 75.05 110.823 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.21 -50.19 60.44 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 34.54 112.476 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.8 t -49.72 -51.96 34.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 73.04 110.824 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' O ' HG21 ' A' ' 13' ' ' THR . 10.5 mpt_? -55.06 -64.37 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.917 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.431 ' HA ' HD12 ' A' ' 32' ' ' LEU . 53.2 mt -49.23 -41.76 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 74.02 111.16 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.677 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.13 -56.79 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.89 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -52.86 -48.76 66.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 75.4 110.881 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 10' ' ' PHE . 11.3 mt -56.8 -52.83 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.964 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.402 HG23 ' HA ' ' A' ' 72' ' ' ILE . 10.5 m -57.51 -72.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 63.15 111.115 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.4 t -41.22 -44.68 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 62.54 111.164 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.484 ' N ' HG23 ' A' ' 34' ' ' THR . 21.9 t80 -57.37 -55.94 28.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.897 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -51.72 -52.67 46.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 63.23 111.135 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.442 ' HA ' HD11 ' A' ' 40' ' ' ILE . 3.6 mm? -57.85 -48.24 80.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.895 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.71 -27.47 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 65.32 110.83 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.657 ' HB3' HD11 ' A' ' 42' ' ' ILE . 5.7 t-160 -131.8 86.08 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 71.43 110.84 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.533 HG22 HG22 ' A' ' 93' ' ' THR . 15.1 mm -80.37 0.65 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 62.14 111.11 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -88.17 12.24 14.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 70.24 110.873 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.657 HD11 ' HB3' ' A' ' 39' ' ' HIS . 2.7 pt -139.22 30.82 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.34 111.172 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.0 pm0 -57.49 -37.62 73.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.01 110.885 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 t -57.95 -73.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.898 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.42 -46.2 26.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 73.43 110.877 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.801 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 75.0 mt -56.23 -71.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.099 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.726 HD12 HD11 ' A' ' 101' ' ' LEU . 40.2 mm -47.26 -48.43 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 62.22 111.115 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -57.61 -41.54 81.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.827 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 11' ' ' VAL . 20.1 tp -58.09 -67.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.918 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 47' ' ' ILE . 5.7 pt -46.54 -46.53 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 63.22 111.136 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.408 HD12 HG22 ' A' ' 47' ' ' ILE . 84.9 mt -56.37 -59.59 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 70.45 111.118 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.58 -52.57 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.02 110.899 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.426 ' HB3' HD21 ' A' ' 14' ' ' LEU . 2.9 t80 -49.36 -37.62 25.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 75.41 110.956 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.624 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 8.0 p -63.25 -76.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 73.24 110.843 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' N ' ' OG ' ' A' ' 54' ' ' SER . 6.6 ptt85 -42.69 -35.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.849 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.0 mt -62.94 -75.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 61.02 110.904 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 61.8 m -46.54 151.28 1.04 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 73.12 110.9 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -155.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 74.12 112.32 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.432 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 10.4 p-10 -38.77 -46.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.89 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 m -44.01 -41.63 5.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 74.42 110.874 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.591 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.2 -49.25 77.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 65.0 110.852 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.597 ' O ' HD12 ' A' ' 66' ' ' LEU . 7.3 mttp -43.5 -67.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.913 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.727 ' HG ' HD11 ' A' ' 24' ' ' ILE . 9.4 tp -61.78 -58.48 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 74.24 110.88 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -50.04 -72.28 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 45.11 112.494 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' GLY . 39.7 t -37.68 -56.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 62.52 110.863 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.686 HD13 HG12 ' A' ' 124' ' ' ILE . 0.3 OUTLIER -41.81 -54.83 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 52.35 110.943 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.606 ' CD2' HD12 ' A' ' 24' ' ' ILE . 3.8 m-30 -57.46 -46.55 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.24 110.909 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.5 mt -55.82 -54.43 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 51.31 111.107 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.3 mt -56.03 -38.09 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 65.35 111.16 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -57.11 -54.42 46.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 73.01 110.913 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -56.39 -64.88 0.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 62.14 110.898 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.402 ' HA ' HG23 ' A' ' 33' ' ' THR . 39.9 mt -51.51 -44.58 33.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 75.05 111.109 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.35 -56.39 19.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.764 . . . . 62.03 112.508 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.564 HH12 HD12 ' B' 1012 ' ' LEU . 9.0 mtm105 -53.35 -58.01 8.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 73.31 110.876 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.56 -58.77 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 63.32 111.091 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.604 ' O ' HG22 ' A' ' 80' ' ' THR . 2.3 m-85 -50.85 -46.05 59.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.905 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 tp -53.48 -53.85 45.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 64.14 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -41.56 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.861 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.91 -71.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.855 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.635 HG21 HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -54.43 -40.73 68.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.12 111.133 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -55.36 -39.32 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 73.1 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -59.72 3.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.854 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -92.97 -75.85 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.915 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 t -174.66 -175.06 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 70.21 110.878 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -102.13 -170.01 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 64.12 110.869 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -130.15 -176.37 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 72.34 110.842 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -179.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 53.35 110.861 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.8 p -119.76 41.34 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 63.4 110.845 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -137.15 111.11 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 73.32 110.893 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? 64.4 154.3 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 73.22 110.885 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 168.4 21.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.244 . . . . 73.53 112.345 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 93' ' ' THR . . . 179.92 -33.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 75.4 112.502 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 92' ' ' GLY . 0.7 OUTLIER -162.9 -176.06 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 72.33 111.15 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.7 p -45.23 -44.76 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 75.2 110.884 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.07 -76.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 64.42 111.083 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -51.07 -34.98 32.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 73.53 110.908 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.5 -56.14 24.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 54.4 111.111 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 80' ' ' THR . 74.8 mt -56.63 -54.84 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 60.25 111.132 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -43.6 74.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 73.32 110.878 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.4 m -56.76 -55.53 33.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 63.44 111.152 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 47' ' ' ILE . 33.6 mt -52.86 -53.09 53.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.892 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.49 -15.23 23.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.749 . . . . 74.23 112.521 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.547 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -88.41 -13.01 41.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 71.41 110.904 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.547 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -120.02 -19.28 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 72.32 111.136 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.748 ' HA ' HD12 ' A' ' 108' ' ' LEU . 4.6 tp -52.44 -27.19 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 63.45 111.135 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.403 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -50.21 -69.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 73.12 110.927 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.09 -43.81 70.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.55 110.879 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 105' ' ' ILE . 33.2 mt -54.89 -68.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 62.5 110.915 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.717 HD12 HG13 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -50.94 -68.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 70.54 110.94 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 109' ' ' LEU . 50.1 p -34.52 -70.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 51.24 110.876 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.99 -48.19 52.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 64.12 110.818 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.49 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -47.53 -59.59 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 65.43 111.142 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.514 HG22 ' CD1' ' A' ' 154' ' ' LEU . 0.3 OUTLIER -58.31 -41.2 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.51 111.162 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -54.91 -71.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 72.43 111.073 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -42.44 74.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 50.24 110.883 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.463 ' HB3' ' N ' ' A' ' 121' ' ' LYS . 5.8 m -49.74 143.3 7.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 52.14 110.859 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.473 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -94.88 -172.19 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 73.23 110.888 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.633 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 7.8 tt0 -43.46 -52.69 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.944 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.07 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 70.01 110.888 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.473 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 38.8 m170 -48.77 -60.05 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.834 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.92 -38.66 7.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.904 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -44.98 95.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 64.14 110.905 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -58.18 -51.93 67.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.879 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.686 HG12 HD13 ' A' ' 66' ' ' LEU . 51.5 mt -56.88 -51.48 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.12 111.117 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -54.3 16.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 53.15 110.91 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.37 -48.5 74.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.859 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.745 HD12 ' HG3' ' B' 1009 ' ' PRO . 7.8 tp -54.72 -43.93 73.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 65.01 110.878 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.62 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -57.06 -49.7 75.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 65.13 110.926 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.48 -55.01 36.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.833 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.435 HG21 ' HG2' ' B' 1009 ' ' PRO . 55.9 mt -56.81 -38.7 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 75.24 111.137 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.612 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 12.5 m0 -54.81 -61.42 2.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.928 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -55.8 -47.04 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.87 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -55.14 -59.22 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.855 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.3 t -51.52 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.843 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 160.74 34.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 71.34 112.464 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.478 HD22 ' CG ' ' A' ' 131' ' ' TRP . 1.0 OUTLIER -81.67 -161.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 70.15 110.917 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.465 ' CD2' HD23 ' A' ' 136' ' ' LEU . 29.4 m-85 -43.49 155.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.868 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -70.43 78.81 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 73.14 110.882 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.578 ' HE2' HD22 ' A' ' 142' ' ' LEU . 10.6 mmtt -63.87 -33.7 76.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.89 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.0 t -67.17 -12.7 60.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 70.23 110.869 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -123.93 -2.69 8.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 74.13 110.925 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.603 HD21 ' CG2' ' A' ' 105' ' ' ILE . 5.4 tp -80.41 96.56 6.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 74.24 110.874 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 144' ' ' ALA . 1.9 t30 -42.88 -33.29 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 65.41 110.897 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -39.55 -94.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 54.23 111.076 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.62 ' CB ' HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -68.15 -22.77 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.176 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.417 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 3.4 ttt180 -41.99 -51.59 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 64.15 110.907 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.0 t -61.98 94.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 62.34 110.897 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -46.72 -28.54 1.54 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 61.45 110.887 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 16.5 m -47.52 -33.28 6.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 51.04 110.847 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -56.4 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.88 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.517 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -45.06 -49.73 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 74.11 111.111 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.421 ' CG ' ' N ' ' A' ' 153' ' ' ASP . 0.2 OUTLIER -52.58 -45.69 66.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.847 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.421 ' N ' ' CG ' ' A' ' 152' ' ' MET . 14.6 t70 -66.62 -68.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 64.14 110.89 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.517 HD11 ' HA ' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -50.56 -29.93 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 74.4 110.948 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.6 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.916 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 57.66 46.82 16.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 73.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.31 177.12 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 64.21 110.85 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -81.19 60.7 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.858 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -162.64 124.23 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.865 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 67.7 t60 62.39 63.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 74.3 110.89 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.854 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.818 0.342 . . . . 64.24 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.27 -66.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.03 176.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.818 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.77 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 55.55 110.937 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 59.7 m-20 53.29 -171.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.871 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 54.38 77.29 0.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 73.34 112.496 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 19.1 t80 -117.45 142.13 47.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.916 0.389 . . . . 63.55 110.897 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 13.1 p30 -142.57 153.46 61.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 71.32 110.898 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . 0.745 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.7 Cg_endo -69.74 -24.27 29.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 64.13 112.376 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -15.62 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.941 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -169.75 126.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 74.25 111.166 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.564 HD12 HH12 ' A' ' 74' ' ' ARG . 3.3 tt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 64.43 110.949 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 ptp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.703 0.287 . . . . 62.52 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -150.64 127.42 10.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 74.1 110.945 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.89 -24.34 10.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.25 110.885 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -57.79 -23.18 51.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 65.14 110.859 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -129.45 56.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.867 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.5 -164.36 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 74.43 110.854 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' A' ' 11' ' ' VAL . 4.8 t80 -49.26 -26.0 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.89 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.93 -57.71 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.932 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -52.34 -50.73 61.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.789 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 45.0 t80 -56.45 -70.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 63.13 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.471 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -46.57 -45.66 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 62.11 111.155 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.12 -47.15 72.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 74.24 111.117 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.5 HG21 ' O ' ' A' ' 28' ' ' ARG . 15.5 m -58.42 -53.26 60.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 73.53 111.158 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.566 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.0 tp -56.38 -53.98 51.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 72.2 110.897 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -47.81 -55.86 8.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.893 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.1 t -59.63 -31.48 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 73.01 110.848 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.804 ' O ' HD22 ' A' ' 20' ' ' LEU . 14.0 t80 -51.42 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 70.25 110.892 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -61.22 -37.07 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 75.15 110.914 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -58.97 -14.97 10.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 64.51 110.857 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.804 HD22 ' O ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -65.54 176.26 1.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.924 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 -13.22 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.52 110.879 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 p -85.59 -8.91 58.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.847 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.7 ' C ' HD11 ' A' ' 20' ' ' LEU . . . 92.33 -40.6 2.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 73.13 112.519 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.679 ' N ' HD11 ' A' ' 20' ' ' LEU . 3.9 mt -141.15 141.7 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 74.02 111.128 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 t -126.43 113.27 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.887 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.73 -56.53 23.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 70.41 112.484 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -44.38 -47.83 9.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 71.03 110.857 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' HG21 ' A' ' 13' ' ' THR . 10.3 mpt_? -54.83 -56.05 23.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.875 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.437 ' HA ' HD12 ' A' ' 32' ' ' LEU . 55.8 mt -49.44 -44.49 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 70.24 111.144 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.608 ' O ' HG22 ' A' ' 34' ' ' THR . 29.8 mttt -56.04 -57.11 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 74.33 110.911 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -50.61 -49.2 57.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.92 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 29' ' ' ILE . 4.0 mt -57.81 -51.4 69.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 60.42 110.943 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.403 ' HA ' HG12 ' A' ' 72' ' ' ILE . 4.0 m -56.69 -70.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 74.54 111.089 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.7 t -44.39 -44.65 8.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 64.43 111.115 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.467 ' N ' HG23 ' A' ' 34' ' ' THR . 20.3 t80 -58.02 -56.85 16.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.902 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.687 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.78 -57.8 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 63.53 111.094 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.671 HD11 ' CB ' ' A' ' 75' ' ' ALA . 1.3 mp -56.75 -48.72 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.15 110.92 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.4 -26.81 54.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.859 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.621 ' CB ' HD11 ' A' ' 42' ' ' ILE . 45.7 m-70 -129.66 83.76 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.862 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.53 HG22 HG22 ' A' ' 93' ' ' THR . 19.1 mm -78.4 -0.6 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.143 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -90.92 20.68 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 61.42 110.892 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.621 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.4 pt -149.45 27.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 55.12 111.11 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.3 OUTLIER -58.2 -33.96 69.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.894 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 16.2 t -59.01 -72.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.887 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.517 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -48.54 -45.99 38.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 72.03 110.902 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.789 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 50.7 mt -56.95 -69.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 71.41 111.134 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.799 HD12 HD11 ' A' ' 101' ' ' LEU . 34.9 mm -48.75 -47.4 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.114 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -57.82 -43.54 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.905 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.527 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.4 tp -57.59 -67.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.077 -0.51 . . . . 62.15 110.902 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.595 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.0 pt -44.79 -46.07 2.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 74.1 111.063 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.631 HD13 HG21 ' A' ' 104' ' ' VAL . 64.5 mt -56.34 -54.84 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 64.4 111.124 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -42.86 83.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 64.41 110.868 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.778 ' HA ' HD12 ' A' ' 56' ' ' LEU . 3.3 t80 -56.61 -38.43 72.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.896 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.683 ' OG ' HD22 ' A' ' 108' ' ' LEU . 27.0 p -63.66 -68.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 45.44 110.87 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.01 -26.96 63.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 75.32 110.891 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 53' ' ' TYR . 4.4 mt -42.38 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 64.44 110.901 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.692 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -94.86 169.93 8.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 71.31 110.91 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.497 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.4 Cg_endo -69.81 -158.08 0.05 OUTLIER 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.65 2.233 . . . . 64.44 112.383 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -29.53 -54.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 74.11 110.883 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' ASP . 10.7 p -34.09 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 64.04 110.904 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.692 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 4.6 m170 -60.65 -38.95 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 61.13 110.861 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -45.83 -61.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 71.33 110.859 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.423 ' HG ' HD11 ' A' ' 24' ' ' ILE . 23.1 tp -57.5 -56.98 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.902 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.22 -60.78 5.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.682 -0.771 . . . . 45.3 112.506 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.1 -47.96 33.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 52.33 110.843 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.668 HD22 ' CD2' ' A' ' 127' ' ' LEU . 1.3 mt -49.12 -50.44 37.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 52.44 110.937 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -56.27 -49.59 73.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 74.32 110.935 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.566 HD13 ' CD1' ' A' ' 14' ' ' LEU . 45.2 mt -56.88 -56.29 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 73.53 111.121 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.554 HG12 HD12 ' A' ' 50' ' ' ILE . 13.7 mt -56.51 -35.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 62.41 111.115 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.438 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -56.82 -55.66 31.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.867 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -55.88 28.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 55.04 110.852 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 33' ' ' THR . 74.9 mt -55.37 -45.89 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 70.22 111.134 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.13 -57.95 16.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.734 . . . . 63.42 112.481 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.649 ' HG2' HD22 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -50.31 -55.98 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.812 0.339 . . . . 71.41 110.878 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.671 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -55.88 -53.21 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 64.01 111.072 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.687 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.3 m-30 -53.03 -47.11 68.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 71.54 110.875 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.487 ' HA ' HD11 ' A' ' 98' ' ' ILE . 2.6 tp -54.82 -53.78 50.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 73.13 110.924 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.2 -39.63 69.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 60.2 110.908 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.88 -66.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 63.43 110.846 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.4 t -55.71 -51.35 67.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 62.21 111.143 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' H ' HG23 ' A' ' 80' ' ' THR . 4.5 ptm180 -55.61 -29.75 59.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.906 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.11 -32.67 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.4 110.808 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -128.47 -63.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 64.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -168.86 159.15 9.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 52.35 110.885 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -122.17 -170.41 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.52 110.878 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.436 ' H ' ' HB1' ' A' ' 95' ' ' ALA . 3.0 t -129.42 -179.52 5.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 65.41 110.9 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -93.13 -175.3 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 71.23 110.878 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.1 125.57 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 44.14 110.807 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -179.45 -174.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.493 . . . . 72.55 110.891 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -51.71 159.36 1.32 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 73.21 110.871 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.7 Cg_endo -69.77 164.15 35.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 41.34 112.342 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.44 -39.52 0.1 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 74.21 112.52 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.53 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -158.79 -177.38 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 71.23 111.113 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -41.17 -54.54 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 64.41 110.916 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.436 ' HB1' ' H ' ' A' ' 86' ' ' SER . . . -48.3 -66.3 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 50.33 111.118 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 38.5 m170 -51.67 -36.46 46.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 75.25 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 94' ' ' CYS . . . -55.48 -61.42 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 44.23 111.089 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' A' ' 77' ' ' LEU . 68.3 mt -52.34 -42.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 63.43 111.126 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -56.03 -53.56 55.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 54.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 m -55.48 -55.2 34.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.51 111.13 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.799 HD11 HD12 ' A' ' 47' ' ' ILE . 44.0 mt -51.26 -56.13 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 74.04 110.895 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.09 -14.85 26.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 34.05 112.482 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.569 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -94.15 -8.56 39.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 75.11 110.866 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.631 HG21 HD13 ' A' ' 51' ' ' ILE . 3.9 m -123.89 -14.64 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.24 111.119 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.845 HG13 HD12 ' A' ' 109' ' ' LEU . 2.4 tp -49.63 -30.26 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 72.23 111.134 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.57 -71.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.897 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -56.41 -39.9 73.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 64.12 110.873 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.683 HD22 ' OG ' ' A' ' 54' ' ' SER . 29.1 mt -56.78 -74.39 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.896 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.845 HD12 HG13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -51.21 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.952 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.4 p -35.56 -58.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 54.34 110.858 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -56.19 -51.97 66.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 62.21 110.86 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.65 -58.9 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 42.42 111.072 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.679 HG22 ' CD1' ' A' ' 154' ' ' LEU . 3.1 mt -53.0 -51.95 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 64.4 111.142 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.45 -68.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 63.4 111.116 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -47.97 -50.82 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.51 110.845 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 4.3 m -50.54 153.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 54.34 110.877 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -94.92 -169.91 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 62.32 110.916 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.642 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.6 tt0 -49.13 -51.66 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 73.25 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -62.94 -64.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 73.43 110.866 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 116' ' ' SER . 14.6 m170 -49.38 -59.64 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.857 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.642 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.2 OUTLIER -45.81 -38.57 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 72.33 110.895 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -45.77 92.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 51.35 110.898 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -58.12 -48.75 79.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 62.42 110.861 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.638 HG21 HG12 ' A' ' 113' ' ' ILE . 64.5 mt -56.75 -48.58 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 70.43 111.153 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -52.78 40.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.84 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -47.99 76.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.05 110.866 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.668 ' CD2' HD22 ' A' ' 66' ' ' LEU . 21.0 tp -54.61 -45.6 73.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.918 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.558 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -55.93 -48.95 74.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 70.55 110.948 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.6 -48.89 71.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.852 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.3 mt -57.81 -41.34 79.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.32 111.12 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.807 ' CD1' HD23 ' A' ' 136' ' ' LEU . 33.2 m0 -54.88 -58.26 8.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.963 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -55.47 -52.7 62.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.829 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -54.84 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.879 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.1 t -50.8 -53.13 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 71.35 110.9 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 137.93 -5.5 3.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 72.13 112.467 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.807 HD23 ' CD1' ' A' ' 131' ' ' TRP . 14.1 tp -58.03 128.48 37.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.904 0.383 . . . . 53.21 110.9 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 57.66 26.51 13.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 64.52 110.909 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -92.0 16.96 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 63.33 110.918 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -96.32 -5.04 40.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 53.35 110.859 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.96 105.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 61.42 110.871 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.684 ' C ' HD13 ' A' ' 142' ' ' LEU . 71.6 m-85 -51.76 171.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 64.14 110.932 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -143.32 128.19 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 61.31 110.903 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.439 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 24.0 m-80 -57.0 -20.0 21.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 60.14 110.879 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -42.82 -95.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 74.2 111.079 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.813 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.96 -23.38 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 71.31 111.103 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.439 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 2.3 ttt85 -45.76 -51.09 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 71.2 110.831 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 33.2 t -67.34 108.19 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 55.03 110.85 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -50.19 -24.89 3.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 65.1 110.908 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 42.2 t -48.69 -31.31 6.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -54.9 -86.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.867 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.52 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -47.83 -46.78 31.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 71.2 111.093 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.408 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 28.5 mmm -50.95 -51.38 52.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.3 110.917 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -63.14 -67.46 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 64.44 110.856 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.679 ' CD1' HG22 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -49.86 -28.96 7.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.937 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.5 OUTLIER -57.12 -173.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 74.2 110.903 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 155' ' ' GLU . 20.5 p80 37.98 49.48 1.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 71.2 110.884 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.66 17.35 24.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.883 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.27 -170.61 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.883 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -63.06 -55.56 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 75.23 110.858 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -73.15 120.08 18.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 61.41 110.888 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 73.23 110.895 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.329 . . . . 75.02 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -132.59 -74.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 74.54 110.866 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.64 -64.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 53.43 110.873 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -176.31 36.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 63.54 110.89 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.75 175.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 70.35 110.862 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 112.72 95.24 2.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 63.12 112.506 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . 0.435 ' CE1' HG21 ' B' 1011 ' ' THR . 32.0 t80 -151.61 114.57 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 72.22 110.914 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 5.6 p30 -96.22 154.64 38.71 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 74.44 110.859 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . 0.483 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.4 Cg_endo -69.85 -15.37 36.72 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 72.35 112.326 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 11.5 p90 -106.71 32.14 4.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.935 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . 0.435 HG21 ' CE1' ' B' 1007 ' ' TYR . 1.8 t -69.36 -25.37 64.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 73.2 111.175 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 52.23 110.885 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tpt . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.787 0.327 . . . . 42.44 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -124.4 57.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.945 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 56.96 24.05 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 73.24 110.956 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -100.13 118.06 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 63.31 110.862 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.3 t70 65.06 55.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 65.34 110.831 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.2 -164.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.887 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -47.77 -27.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 74.5 110.9 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -50.01 -56.53 10.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 75.12 110.932 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.32 -52.51 58.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.32 110.861 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 33.1 t80 -55.53 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.873 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.6 -45.01 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 51.52 111.116 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.425 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.08 -49.46 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 53.22 111.088 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.49 HG21 ' O ' ' A' ' 28' ' ' ARG . 26.8 m -57.4 -53.71 55.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 72.53 111.14 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 14' ' ' LEU . 11.6 tp -56.48 -52.62 64.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 70.02 110.919 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.17 -57.15 7.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.859 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -55.5 -32.03 62.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 63.34 110.892 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.553 ' CE1' HD13 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -58.4 -61.58 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.876 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -55.41 -35.47 65.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 62.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -57.11 -23.1 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 74.44 110.889 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.3 mt -72.59 158.88 34.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.945 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.18 58.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 54.24 110.916 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.48 37.81 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.824 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.09 -45.51 6.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 74.11 112.512 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.553 HD13 ' CE1' ' A' ' 17' ' ' PHE . 10.3 mm 61.03 82.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 50.14 111.164 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.66 124.44 37.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.833 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.61 -37.79 69.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.772 -0.728 . . . . 71.42 112.459 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 t -51.17 -43.89 61.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 72.55 110.851 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' O ' HG21 ' A' ' 13' ' ' THR . 8.5 mpt_? -54.63 -63.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 72.42 110.9 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 32' ' ' LEU . 79.0 mt -50.32 -40.89 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.02 111.163 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.668 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.52 -59.41 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.912 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -51.83 -47.06 64.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.903 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 29' ' ' ILE . 6.6 mt -57.61 -53.79 54.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 71.41 110.903 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.404 HG23 ' HA ' ' A' ' 72' ' ' ILE . 7.6 m -57.6 -71.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 72.44 111.122 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.1 t -40.82 -44.97 2.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 61.31 111.163 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.485 ' N ' HG23 ' A' ' 34' ' ' THR . 24.3 t80 -59.39 -57.42 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.862 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.668 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.15 -57.33 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 54.34 111.079 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.868 HD21 ' HB1' ' A' ' 75' ' ' ALA . 2.3 mp -56.6 -47.43 79.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 73.51 110.97 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -56.44 -25.18 49.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 52.32 110.851 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.669 ' HB3' HD11 ' A' ' 42' ' ' ILE . 2.5 t-160 -131.42 85.31 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 54.44 110.85 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 40' ' ' ILE . 25.4 mm -80.06 2.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 61.14 111.13 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.83 19.65 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 73.44 110.868 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.669 HD11 ' HB3' ' A' ' 39' ' ' HIS . 2.7 pt -149.85 35.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.44 111.143 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.716 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.7 pp20? -59.36 -38.0 79.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 71.42 110.851 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 t -57.52 -74.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 63.31 110.854 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.573 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -44.17 -48.65 9.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 65.24 110.923 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.8 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 90.0 mt -56.4 -73.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.24 111.138 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.727 HD12 HD11 ' A' ' 101' ' ' LEU . 42.2 mm -44.78 -49.34 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.03 111.147 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 m -56.99 -43.39 81.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 61.43 110.828 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.536 HD23 ' CE2' ' A' ' 10' ' ' PHE . 17.8 tp -57.26 -67.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.562 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.0 pt -46.44 -45.75 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 74.44 111.134 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.445 HD12 HG22 ' A' ' 47' ' ' ILE . 70.9 mt -55.23 -59.3 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 63.4 111.168 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.28 -51.09 70.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 63.43 110.85 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -48.55 -38.85 21.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.919 -179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.565 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 11.2 p -62.38 -74.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 74.52 110.875 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.6 ptt85 -44.48 -34.21 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 71.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 53' ' ' TYR . 34.3 mt -62.87 -78.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.916 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.456 ' HB2' ' HB3' ' A' ' 61' ' ' HIS . 60.1 m -47.78 149.35 2.28 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.643 0.735 . . . . 61.11 110.882 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.9 Cg_endo -69.77 -152.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 74.13 112.307 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -37.77 -45.39 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.925 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -43.86 -41.95 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 70.31 110.82 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.535 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -58.11 -47.03 84.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.833 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.636 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.7 mtmp? -41.72 -68.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 65.41 110.894 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.537 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 9.0 tp -60.32 -60.66 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.952 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.18 -73.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.676 -0.773 . . . . 55.22 112.489 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.542 ' O ' HD12 ' A' ' 69' ' ' ILE . 46.7 t -36.89 -59.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 74.11 110.902 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.679 ' CD2' HD23 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -41.42 -54.32 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 54.32 110.894 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 11.0 m-85 -57.39 -46.83 83.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.948 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.5 mt -55.6 -55.69 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 72.51 111.116 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 65' ' ' SER . 2.9 mt -55.96 -37.38 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.34 111.16 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.63 ' HA ' HD21 ' A' ' 136' ' ' LEU . 2.6 t70 -58.23 -56.11 26.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 74.33 110.888 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.633 ' HB2' HD21 ' B' 1012 ' ' LEU . 64.2 p -55.82 -64.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.875 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.404 ' HA ' HG23 ' A' ' 33' ' ' THR . 62.1 mt -51.99 -45.83 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 74.01 111.14 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.63 -62.19 6.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.747 -0.74 . . . . 72.21 112.479 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.539 ' HG2' HD22 ' A' ' 136' ' ' LEU . 1.7 mtm105 -49.11 -55.1 13.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 70.21 110.816 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.868 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -54.91 -62.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.52 111.089 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.685 ' O ' HG22 ' A' ' 80' ' ' THR . 2.4 m-30 -47.18 -50.07 21.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.922 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.789 HD22 HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -51.49 -63.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.938 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -40.49 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.887 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.63 ' HG3' HD23 ' A' ' 37' ' ' LEU . 9.6 mm-40 -55.2 -74.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 72.4 110.882 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.6 t -55.16 -36.18 65.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 70.55 111.136 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -55.44 -41.57 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 63.12 110.855 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -51.29 -29.69 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.866 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -108.13 -76.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.911 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t 179.92 139.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 63.25 110.863 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.9 p-10 -108.33 -169.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.33 110.933 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.8 t -173.11 147.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 71.43 110.849 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.5 p -109.65 164.15 12.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 64.52 110.815 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.0 t 51.51 67.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 61.1 110.854 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -141.47 -166.43 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 71.03 110.928 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -106.16 160.2 27.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.545 0.688 . . . . 73.24 110.918 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 137.9 36.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 74.44 112.388 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.32 -29.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 52.43 112.467 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.521 ' HA ' HG22 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -147.69 -178.46 6.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 55.22 111.189 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 68.0 m -48.41 -43.97 34.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 70.53 110.925 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' CYS . . . -37.54 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 52.4 111.08 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -52.14 -38.8 58.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.858 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -53.1 -57.38 10.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 52.5 111.134 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.789 HD13 HD22 ' A' ' 77' ' ' LEU . 63.8 mt -56.34 -48.75 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 64.51 111.147 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -56.36 -56.64 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.872 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.407 ' O ' HG13 ' A' ' 104' ' ' VAL . 54.1 m -51.15 -55.01 19.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 70.1 111.153 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.727 HD11 HD12 ' A' ' 47' ' ' ILE . 37.5 mt -50.03 -57.95 6.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 71.11 110.927 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.28 -14.13 32.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 44.24 112.522 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.521 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -90.68 -13.85 33.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 55.31 110.901 -179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.521 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.1 m -118.44 -20.8 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 65.42 111.112 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.817 HG13 HD12 ' A' ' 109' ' ' LEU . 2.2 tp -50.87 -29.39 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 35.05 111.138 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.459 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.56 -69.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.04 110.934 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -56.16 -39.51 72.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 105' ' ' ILE . 84.2 mt -55.06 -69.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 64.42 110.906 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.817 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -55.39 -63.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 61.33 110.871 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 109' ' ' LEU . 78.0 p -36.64 -67.07 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.87 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.19 -45.08 61.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 75.35 110.841 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.504 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.55 -59.73 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 60.41 111.084 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.428 HG22 HD11 ' A' ' 154' ' ' LEU . 2.7 mt -50.9 -48.28 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 52.13 111.128 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.08 -69.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 73.35 111.124 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -30.32 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.913 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -68.6 147.58 51.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.861 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -94.47 -167.6 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 43.25 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.623 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.5 tt0 -50.5 -51.63 45.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 55.22 110.919 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.82 -62.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.86 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -50.67 -59.95 3.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 72.11 110.856 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.623 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -46.53 -37.86 8.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 72.15 110.843 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -46.51 89.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.874 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -58.14 -51.49 69.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 61.12 110.897 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.62 HG12 HD13 ' A' ' 66' ' ' LEU . 48.9 mt -56.24 -49.95 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.42 111.141 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -52.32 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.887 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.18 -51.47 66.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 65.25 110.86 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.679 HD23 ' CD2' ' A' ' 66' ' ' LEU . 50.9 tp -52.66 -44.34 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 60.52 110.92 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.755 HD11 HG13 ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.53 -50.63 71.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.902 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -51.58 -50.38 60.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 70.03 110.867 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.4 mt -57.0 -42.87 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 62.03 111.197 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.582 ' CD1' HD23 ' A' ' 136' ' ' LEU . 41.8 m0 -54.03 -53.11 57.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.956 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.18 -54.44 45.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 71.31 110.914 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -55.72 -74.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 70.34 110.833 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.7 t -57.89 -74.89 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.872 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 147.27 122.93 1.38 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 43.44 112.518 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -124.86 -67.78 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 54.35 110.903 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' A' ' 136' ' ' LEU . 62.3 m-85 -113.59 -77.42 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.855 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -89.31 -174.31 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 72.44 110.861 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -15.56 57.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 73.41 110.923 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 73.2 m -154.11 -45.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 62.33 110.857 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.617 ' C ' HD13 ' A' ' 142' ' ' LEU . 0.2 OUTLIER 178.11 -171.97 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.931 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.847 HD22 ' H ' ' A' ' 142' ' ' LEU . 0.0 OUTLIER -117.42 159.1 23.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 72.03 110.933 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.426 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 34.1 m-80 -45.49 -31.26 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 52.33 110.874 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.727 ' HB3' HD23 ' A' ' 142' ' ' LEU . . . -38.56 -93.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 74.34 111.122 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.755 HG13 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.9 -24.79 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 75.31 111.107 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.426 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 0.6 OUTLIER -40.63 -51.38 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.896 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.2 p -58.23 99.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 65.11 110.874 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -45.13 -32.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 71.42 110.889 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 49.8 t -44.73 -31.52 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 70.33 110.899 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.558 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 3.5 m-30 -58.45 -95.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 65.23 110.922 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.976 ' HA ' HD22 ' A' ' 154' ' ' LEU . . . -38.52 -41.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 41.21 111.11 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.476 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 34.9 mmm -60.03 -71.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 65.22 110.894 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.93 -58.43 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.842 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.976 HD22 ' HA ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -41.11 -33.85 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 63.52 110.903 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.975 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -59.57 -62.34 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.892 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -60.96 160.93 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 73.1 110.834 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 22.7 p-80 -156.43 -177.7 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 64.03 110.855 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -67.64 -177.66 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 63.2 110.843 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -163.22 -179.72 6.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 74.01 110.846 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.1 m80 55.99 30.23 15.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.865 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 72.45 110.869 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 73.31 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.53 78.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 52.12 110.858 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 26.6 t0 -140.01 47.3 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 41.42 110.85 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 14.1 tt0 59.99 31.83 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.915 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -63.41 177.31 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 71.35 110.866 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 54.63 68.29 1.75 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 75.34 112.484 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . 0.423 ' CB ' HD12 ' A' ' 29' ' ' ILE . 7.0 t80 -59.47 118.56 6.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.896 0.379 . . . . 60.25 110.967 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . 0.508 ' OD1' HG23 ' B' 1011 ' ' THR . 2.2 t-20 -62.26 138.41 96.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 54.33 110.877 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . 0.485 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.9 Cg_endo -69.78 -23.18 31.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.254 . . . . 71.13 112.354 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . 0.483 ' O ' HG22 ' B' 1011 ' ' THR . 26.4 p90 -119.24 25.92 9.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 63.21 110.924 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . 0.508 HG23 ' OD1' ' B' 1008 ' ' ASN . 0.1 OUTLIER -158.64 150.63 21.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 74.11 111.155 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.633 HD21 ' HB2' ' A' ' 71' ' ' SER . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 62.43 110.954 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.724 0.297 . . . . 45.32 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -175.95 128.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 72.23 110.922 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.91 60.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 70.13 110.928 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.82 -24.55 8.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 65.44 110.872 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -139.75 67.26 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 75.33 110.854 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.88 -163.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 64.51 110.894 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -48.19 -27.32 2.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.877 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -50.2 -56.81 9.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 72.13 110.916 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -53.55 -52.14 60.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 73.03 110.895 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.802 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 37.9 t80 -56.18 -68.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.903 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.43 -45.76 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.146 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.436 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -52.66 -51.17 61.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 73.03 111.095 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 28' ' ' ARG . 28.7 m -57.37 -52.99 63.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 61.31 111.169 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 15.8 tp -55.36 -54.68 40.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 71.13 110.916 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -49.78 -56.58 9.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.903 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 t -56.15 -30.91 62.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 63.25 110.82 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.426 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -56.1 -64.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 63.24 110.899 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -56.5 -37.16 70.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.943 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -55.75 -26.65 46.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.875 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 17' ' ' PHE . 17.8 mt -55.43 176.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.923 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.29 -25.22 24.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.04 110.896 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -114.91 -53.69 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 65.24 110.879 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.71 35.05 1.77 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 61.03 112.501 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.477 HD11 HD23 ' A' ' 63' ' ' LEU . 4.1 mp -144.6 140.69 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 72.35 111.111 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.12 115.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 75.51 110.855 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.88 -50.18 51.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 73.12 112.476 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -49.29 -52.57 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 74.3 110.817 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.533 ' O ' HG21 ' A' ' 13' ' ' THR . 3.4 mpt_? -55.37 -64.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.922 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 32' ' ' LEU . 96.9 mt -47.91 -42.58 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.41 111.152 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.66 ' O ' HG22 ' A' ' 34' ' ' THR . 23.8 mtmt -55.38 -56.79 16.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 72.41 110.927 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -51.73 -47.72 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.35 110.926 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD23 ' CD1' ' A' ' 10' ' ' PHE . 8.3 mt -57.77 -52.45 65.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 61.53 110.907 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' ' 72' ' ' ILE . 7.3 m -57.32 -71.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 50.42 111.131 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.4 t -41.8 -44.91 3.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.168 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.465 ' N ' HG23 ' A' ' 34' ' ' THR . 21.4 t80 -58.25 -55.8 30.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.915 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.694 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.61 -57.38 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 74.24 111.12 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.691 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.5 mp -57.38 -46.7 83.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 61.01 110.923 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.38 -28.07 40.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 75.45 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.685 ' CB ' HD11 ' A' ' 42' ' ' ILE . 27.9 m-70 -130.6 85.05 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.877 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 40' ' ' ILE . 45.9 mm -76.37 -1.43 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 71.41 111.158 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -92.72 26.23 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.872 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.687 HG22 ' CE ' ' A' ' 45' ' ' LYS . 1.8 pt -155.15 32.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.53 111.126 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -62.84 -42.06 99.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.906 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.4 t -51.67 -69.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 44.4 110.881 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.687 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.82 -49.03 50.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.845 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.802 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 82.9 mt -55.16 -69.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 70.4 111.155 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.754 HD12 HD11 ' A' ' 101' ' ' LEU . 42.3 mm -45.84 -49.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 64.03 111.134 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -56.48 -41.92 77.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 54.51 110.854 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.521 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.2 tp -58.16 -66.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 61.21 110.942 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.8 pt -47.64 -44.25 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 73.44 111.109 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.5 mt -55.47 -62.85 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 52.0 111.138 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.02 -48.61 75.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.849 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.458 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -51.43 -38.81 55.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.918 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.584 ' OG ' HD22 ' A' ' 108' ' ' LEU . 12.9 p -62.7 -72.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 54.2 110.823 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.553 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -43.35 -34.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 63.44 110.891 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 53' ' ' TYR . 27.3 mt -57.68 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.924 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.566 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -51.3 141.09 22.6 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.624 0.726 . . . . 64.13 110.892 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -98.82 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.672 2.248 . . . . 74.24 112.355 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' SER . 0.6 OUTLIER -68.63 -53.39 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.903 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.8 OUTLIER -38.14 -50.08 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.863 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.48 -52.04 67.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.842 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.643 ' O ' HD12 ' A' ' 66' ' ' LEU . 7.1 mtmp? -36.05 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.925 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 24' ' ' ILE . 8.3 tp -62.68 -55.83 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.53 110.897 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -49.48 -78.23 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.721 . . . . 50.31 112.459 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' GLY . 32.0 t -36.75 -56.85 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 74.54 110.905 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.643 HD12 ' O ' ' A' ' 62' ' ' LYS . 5.5 mt -41.5 -56.38 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 73.02 110.917 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.402 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 7.2 m-85 -57.05 -45.65 83.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.914 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.6 mt -55.76 -56.13 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 54.31 111.109 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.6 mt -55.87 -36.99 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 63.22 111.139 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.432 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -58.3 -56.7 18.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.888 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.8 p -55.35 -63.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 72.33 110.877 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.408 ' HA ' HG23 ' A' ' 33' ' ' THR . 61.8 mt -52.5 -44.19 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 64.1 111.128 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.71 -61.41 7.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.763 . . . . 42.24 112.501 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -53.69 21.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 70.52 110.865 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.691 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -56.22 -59.6 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.12 111.08 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.694 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.6 m-30 -49.16 -49.26 43.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 73.45 110.946 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.691 HD22 ' HA ' ' A' ' 136' ' ' LEU . 26.7 tp -52.07 -60.92 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 70.21 110.925 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -41.2 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.851 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.59 ' HG3' HD23 ' A' ' 37' ' ' LEU . 9.8 mm-40 -55.28 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.867 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 76' ' ' TYR . 4.9 t -54.97 -42.7 72.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 65.33 111.156 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -55.49 -35.39 65.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.04 110.867 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.6 t -50.99 -38.05 48.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.895 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -114.37 -75.11 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.909 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -170.11 163.81 9.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.12 110.871 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -119.13 93.93 4.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.896 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.22 120.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 70.33 110.873 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -134.51 -74.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.01 110.866 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -175.45 -170.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 60.04 110.852 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -67.83 158.11 33.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 65.31 110.894 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp 63.29 160.5 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 75.13 110.865 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.1 Cg_endo -69.73 148.6 65.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 62.22 112.374 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.39 -33.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 71.11 112.484 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.475 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -137.21 162.86 32.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 54.55 111.119 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' THR . 3.4 m -34.39 -57.74 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 61.04 110.842 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' CYS . . . -34.86 -72.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.15 111.14 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 3.3 t-80 -54.89 -42.05 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.871 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 43' ' ' GLU . . . -49.98 -58.03 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 63.32 111.124 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 71.9 mt -55.33 -47.44 77.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 72.34 111.131 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -55.8 -54.69 41.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.3 110.867 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.7 m -52.36 -55.87 18.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 73.3 111.165 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.754 HD11 HD12 ' A' ' 47' ' ' ILE . 41.2 mt -50.14 -58.41 5.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.911 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.59 -15.11 24.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 42.41 112.518 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -87.77 -12.28 45.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 74.53 110.922 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.574 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -122.31 -18.87 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 62.32 111.166 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.825 HG13 HD12 ' A' ' 109' ' ' LEU . 3.5 tp -49.19 -30.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 75.03 111.129 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.483 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -48.96 -69.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 75.45 110.868 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.38 -39.55 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.872 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.584 HD22 ' OG ' ' A' ' 54' ' ' SER . 50.0 mt -55.88 -71.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.917 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.825 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -53.9 -65.86 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 61.43 110.899 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 109' ' ' LEU . 88.1 p -34.81 -58.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 63.04 110.855 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -54.72 -55.18 32.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 73.51 110.904 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.487 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -48.12 -56.37 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.23 111.117 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.695 HG22 ' CD1' ' A' ' 154' ' ' LEU . 2.1 mt -55.46 -42.72 69.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.23 111.08 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.34 -69.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.13 111.106 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -55.23 -46.92 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 m -46.04 146.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 75.01 110.86 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -98.76 -171.86 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 65.11 110.943 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.611 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 6.9 mp0 -44.19 -51.97 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 62.33 110.941 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.66 -65.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 72.51 110.887 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.46 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 43.5 m170 -49.21 -60.46 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.835 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.63 -38.0 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.24 110.884 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -47.1 87.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 71.01 110.88 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -57.44 -50.28 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 63.15 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.554 HG12 HD13 ' A' ' 66' ' ' LEU . 17.0 mt -56.83 -49.26 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.138 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -50.52 -50.8 52.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.858 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.2 ttm -56.18 -51.5 67.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 60.15 110.903 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.492 HD13 ' HG3' ' B' 1009 ' ' PRO . 18.8 tp -53.67 -44.13 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 52.02 110.937 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.741 HD11 ' CB ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.39 -49.58 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 63.34 110.91 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.31 -49.91 66.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.861 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.83 -42.47 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 71.14 111.149 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.608 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 17.1 m0 -55.25 -56.46 19.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.949 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -55.03 -53.21 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.886 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -54.27 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 61.44 110.897 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.7 t -55.82 -74.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 71.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 141.19 124.73 2.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 64.41 112.5 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.691 ' HA ' HD22 ' A' ' 77' ' ' LEU . 10.3 tp -139.28 -76.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 72.31 110.914 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -96.45 -31.63 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.861 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -179.26 165.72 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.933 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -71.85 78.0 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.856 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 50.83 54.6 10.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 64.53 110.896 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -126.73 11.28 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 63.14 110.947 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.781 HD13 HD11 ' A' ' 145' ' ' ILE . 1.5 mt -67.7 85.85 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 74.12 110.958 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -38.84 -40.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 63.44 110.88 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -42.96 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 61.44 111.094 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.781 HD11 HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -63.45 -27.7 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.35 111.137 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.16 -54.66 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.883 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 10.2 t -53.58 102.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.85 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -48.3 -27.21 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 74.4 110.896 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 47.1 t -51.24 -30.17 16.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 70.21 110.898 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -55.09 -86.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 73.02 110.851 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.517 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -48.72 -45.61 39.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 72.04 111.07 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 6.4 mmm -51.47 -51.73 52.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.882 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.9 -66.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.883 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.695 ' CD1' HG22 ' A' ' 113' ' ' ILE . 1.1 pp -50.41 -29.33 9.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.873 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.2 OUTLIER -55.91 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 72.43 110.894 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -55.38 172.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 64.03 110.853 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -83.35 171.45 13.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 75.12 110.841 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 62.65 66.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.814 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -148.17 48.82 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.861 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -162.1 170.5 19.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 64.31 110.872 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 55.1 110.891 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.804 0.335 . . . . 74.11 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -52.92 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.32 110.864 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.22 167.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.851 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.36 -65.06 0.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 72.3 110.935 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 75.1 m-20 52.73 35.53 18.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.877 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . -177.94 58.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 62.41 112.462 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.63 124.14 24.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.918 0.389 . . . . 75.13 110.964 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 39.3 t30 -94.36 118.47 67.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.636 0.732 . . . . 64.15 110.908 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . 0.492 ' HG3' HD13 ' A' ' 127' ' ' LEU . 53.8 Cg_endo -69.73 -8.44 23.62 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 62.44 112.347 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -18.8 57.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 62.33 110.897 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 1.3 t -162.58 114.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 64.34 111.176 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 54.43 110.873 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ptp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.722 0.296 . . . . 72.33 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -165.12 -172.72 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 61.31 110.932 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -53.58 150.61 6.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 60.21 110.952 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.92 -8.03 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.844 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 t0 65.49 52.85 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 64.33 110.907 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.56 -162.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 62.12 110.88 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.499 ' CE2' HG23 ' A' ' 11' ' ' VAL . 3.6 t80 -48.05 -26.45 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 73.51 110.883 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -46.71 -57.28 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 63.22 110.919 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -53.18 -51.71 61.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.886 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.755 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 33.3 t80 -55.9 -70.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 65.41 110.853 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.499 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -47.32 -44.93 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 54.05 111.108 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.19 -49.03 67.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 70.23 111.094 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.531 HG21 ' O ' ' A' ' 28' ' ' ARG . 23.7 m -57.8 -53.02 62.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 45.31 111.148 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HA ' HD12 ' A' ' 14' ' ' LEU . 11.9 tp -56.2 -53.4 57.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.911 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.07 -59.72 3.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.898 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.5 t -57.28 -29.18 63.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 60.32 110.868 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.935 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -54.99 -64.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 75.13 110.907 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -57.83 -36.17 71.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 73.55 110.905 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -59.2 -14.58 11.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 74.53 110.865 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -70.06 172.22 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 63.43 110.883 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 59.19 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.849 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.8 p -165.16 -52.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 54.43 110.838 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' H ' HD11 ' A' ' 20' ' ' LEU . . . 111.63 0.66 27.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 64.43 112.493 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.413 ' N ' HD11 ' A' ' 20' ' ' LEU . 3.2 mp -149.25 140.89 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 42.32 111.117 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t -158.96 110.73 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 75.44 110.888 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.21 -53.33 35.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 75.13 112.487 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 m -46.46 -53.18 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 64.32 110.836 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.531 ' O ' HG21 ' A' ' 13' ' ' THR . 10.0 mpt_? -54.18 -59.01 5.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 72.05 110.889 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.438 ' HA ' HD12 ' A' ' 32' ' ' LEU . 58.5 mt -49.53 -43.02 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 61.43 111.127 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.626 ' O ' HG22 ' A' ' 34' ' ' THR . 16.3 mttt -55.53 -59.75 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 70.34 110.876 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -48.22 52.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 62.43 110.896 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.513 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.4 mt -57.9 -53.05 62.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.916 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.8 m -57.27 -71.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 71.21 111.122 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.5 t -41.45 -44.95 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 52.45 111.138 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.491 ' N ' HG23 ' A' ' 34' ' ' THR . 20.6 t80 -58.98 -56.77 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 63.31 110.938 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.59 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.53 -57.61 5.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 73.31 111.094 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.816 HD21 ' HB1' ' A' ' 75' ' ' ALA . 2.7 mp -57.33 -48.55 78.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.942 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -57.05 -24.08 51.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.859 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.611 ' CB ' HD11 ' A' ' 42' ' ' ILE . 34.7 m80 -132.95 84.56 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.847 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.574 ' CG2' HG22 ' A' ' 93' ' ' THR . 21.7 mm -78.05 -2.29 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 53.42 111.153 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -89.26 24.86 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.874 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.657 HG22 ' CE ' ' A' ' 45' ' ' LYS . 1.4 pt -152.31 29.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.13 111.164 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.5 pp20? -57.94 -37.36 73.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 75.24 110.9 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.0 t -57.78 -73.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 44.23 110.853 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.657 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.77 -46.24 20.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.24 110.955 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.755 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 85.2 mt -56.56 -71.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 74.54 111.136 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.762 HD12 HD11 ' A' ' 101' ' ' LEU . 40.1 mm -47.55 -47.69 10.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.131 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.9 m -57.16 -43.6 82.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.844 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.506 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.4 tp -57.78 -67.97 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 75.54 110.948 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.59 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.9 pt -44.89 -45.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 61.42 111.177 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.35 -55.81 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 54.43 111.133 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.91 -42.75 80.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 51.31 110.89 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.755 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.8 t80 -56.6 -38.75 72.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.915 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.589 ' OG ' HD22 ' A' ' 108' ' ' LEU . 37.2 p -63.4 -70.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 75.34 110.903 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.488 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -56.42 -26.69 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 74.13 110.861 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 53' ' ' TYR . 4.3 mt -44.05 -76.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 74.3 110.924 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.685 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -94.33 169.49 9.69 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.603 0.716 . . . . 61.43 110.878 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.5 Cg_endo -69.77 -157.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 70.21 112.316 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' PRO . 56.7 t0 -30.02 -53.1 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.852 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 59' ' ' ASP . 65.5 m -34.0 -77.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 71.11 110.89 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.685 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 7.2 m170 -59.89 -36.84 77.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 53.32 110.833 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.0 mmtt -47.71 -66.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 71.04 110.899 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.3 tp -52.36 -56.89 11.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 54.24 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.33 -46.59 35.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 62.14 112.46 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -53.55 56.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 61.14 110.86 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.648 HD12 HG12 ' A' ' 124' ' ' ILE . 6.6 mt -44.74 -51.83 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 75.2 110.926 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -57.14 -50.07 73.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 62.33 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.1 mt -57.13 -55.44 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 64.01 111.156 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.6 mt -56.7 -35.39 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.51 111.097 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.89 -56.65 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.831 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -57.27 13.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 63.02 110.892 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.5 -45.51 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.21 111.133 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.48 -60.55 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 75.21 112.452 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -49.61 -54.35 18.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 72.41 110.863 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.816 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -55.67 -59.34 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.42 111.126 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.59 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.2 m-30 -49.26 -48.69 45.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 71.51 110.916 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' HA ' HD11 ' A' ' 98' ' ' ILE . 5.8 tp -52.83 -61.4 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 72.01 110.917 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.64 -40.36 65.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.895 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.648 ' HG3' HD23 ' A' ' 37' ' ' LEU . 14.6 mm-40 -55.18 -72.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.898 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.0 t -55.38 -42.98 74.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 45.4 111.157 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -53.98 -37.09 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 62.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -51.9 -29.84 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 54.52 110.845 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -116.34 -75.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 75.43 110.884 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.56 139.76 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.892 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -91.81 79.26 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.885 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.7 m -52.38 109.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 p -69.34 136.49 51.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 50.24 110.849 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -166.66 150.54 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 71.41 110.87 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -96.15 34.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 62.33 110.951 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -157.06 160.95 30.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 72.04 110.925 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 152.84 69.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.707 2.271 . . . . 75.11 112.315 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.26 -43.89 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 72.54 112.453 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.574 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.6 OUTLIER -157.79 -174.99 5.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.753 0.311 . . . . 51.04 111.118 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.436 ' SG ' HD12 ' A' ' 40' ' ' ILE . 98.0 m -44.58 -36.81 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.847 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.27 -70.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.079 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -54.02 -37.22 63.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 72.1 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.7 -56.12 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 62.42 111.092 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.81 HG23 ' CE1' ' A' ' 137' ' ' PHE . 73.9 mt -56.17 -51.5 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.22 111.11 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -56.67 -57.38 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.922 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 55.3 m -48.78 -57.78 5.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 72.12 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.762 HD11 HD12 ' A' ' 47' ' ' ILE . 54.1 mt -49.69 -59.23 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 64.21 110.939 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.87 -15.07 26.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 64.33 112.465 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.559 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -88.96 -13.31 39.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 72.34 110.841 -179.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.559 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.0 m -120.58 -18.55 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 64.14 111.155 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.668 HG23 HD21 ' A' ' 142' ' ' LEU . 2.5 tp -50.45 -29.16 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.4 111.171 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.933 ' HA ' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -51.95 -71.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 55.11 110.918 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -56.72 -40.21 75.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 63.23 110.866 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.589 HD22 ' OG ' ' A' ' 54' ' ' SER . 31.5 mt -54.09 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.934 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.046 HD22 HD11 ' A' ' 128' ' ' LEU . 4.9 mt -55.12 -71.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.901 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 73.3 p -35.52 -57.01 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 54.11 110.851 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -54.57 -52.67 61.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 74.41 110.856 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.23 -49.92 40.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 72.55 111.147 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.526 HG22 HD11 ' A' ' 154' ' ' LEU . 3.0 mt -56.1 -50.41 70.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 61.23 111.141 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.504 ' HB3' ' HE2' ' A' ' 115' ' ' LYS . . . -57.33 -62.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 73.43 111.099 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -55.34 -24.23 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 73.32 110.882 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.5 m -85.05 159.58 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.872 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.47 -175.76 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.864 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.599 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 41.7 tt0 -42.22 -51.14 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.909 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.2 -71.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 64.15 110.921 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -46.49 -59.12 3.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -44.96 -38.94 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.913 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -62.32 -44.02 97.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 75.34 110.854 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -57.67 -47.84 81.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.865 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.648 HG12 HD12 ' A' ' 66' ' ' LEU . 55.5 mt -58.66 -46.69 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.51 111.121 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.12 -57.17 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.863 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.6 ptm -56.93 -40.67 76.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 71.05 110.904 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.511 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 43.2 tp -54.17 -52.69 60.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 61.44 110.918 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 1.046 HD11 HD22 ' A' ' 109' ' ' LEU . 8.0 mt -55.83 -45.29 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.915 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -52.95 -51.41 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.842 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.08 -40.26 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 70.43 111.138 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.723 ' CD1' HD13 ' A' ' 136' ' ' LEU . 37.6 m0 -53.18 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.924 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.9 -37.41 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 41.41 110.869 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -55.87 -64.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.859 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.4 t -55.71 -75.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.88 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 169.8 35.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 72.11 112.495 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.723 HD13 ' CD1' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -68.07 -165.3 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 74.45 110.904 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.81 ' CE1' HG23 ' A' ' 98' ' ' ILE . 4.1 m-85 -60.54 -167.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.856 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.37 74.73 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.897 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.735 ' HE2' HD13 ' A' ' 142' ' ' LEU . 4.5 mmpt? -91.45 -7.3 50.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 62.32 110.882 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.5 t -81.37 -4.81 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.21 110.84 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -153.81 24.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 74.11 110.941 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.735 HD13 ' HE2' ' A' ' 139' ' ' LYS . 13.4 tp -62.83 114.41 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.943 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.453 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 2.4 t30 -43.98 -39.49 4.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 52.13 110.887 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.933 ' HB2' ' HA ' ' A' ' 106' ' ' GLN . . . -40.66 -88.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.123 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.71 HG21 HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -66.82 -27.79 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 62.12 111.203 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.453 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 5.8 ttt180 -34.67 -54.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 70.45 110.893 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 91.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 70.23 110.873 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.39 -34.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 71.35 110.933 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 1.8 t -44.4 -34.51 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.866 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.577 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 18.8 m-85 -58.96 -94.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 64.13 110.879 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.956 ' HA ' HD22 ' A' ' 154' ' ' LEU . . . -34.58 -45.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 42.35 111.099 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.52 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 0.1 OUTLIER -59.68 -72.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.883 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.19 -60.78 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.962 HD23 ' N ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -38.86 -35.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 72.24 110.897 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.962 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -57.31 -74.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 65.22 110.866 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -65.72 138.42 57.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 73.54 110.869 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -172.88 -169.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.832 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -53.81 153.68 4.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.897 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.58 139.59 25.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.855 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -170.1 121.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.894 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.832 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.317 . . . . 71.24 110.831 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -153.42 31.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 75.03 110.87 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 37.2 t0 -132.91 27.53 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 72.11 110.85 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 2.0 tt0 52.54 34.53 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 61.34 110.854 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -175.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.898 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 87.96 147.78 14.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 65.33 112.479 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 48.0 t80 -173.75 114.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.367 . . . . 75.43 110.903 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.18 137.09 21.71 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.57 0.7 . . . . 73.12 110.921 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -14.85 36.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 72.11 112.338 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.96 1.23 32.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 74.15 110.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 3.4 p -122.24 162.35 21.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 65.35 111.096 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.943 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ptp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.77 0.319 . . . . 65.32 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -172.19 -176.97 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 65.04 110.912 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -53.69 168.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 70.21 110.919 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -69.85 -12.85 61.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 65.2 110.893 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 65.49 45.64 2.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.823 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.528 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.6 OUTLIER -85.78 -161.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.868 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CE2' HG23 ' A' ' 11' ' ' VAL . 1.3 t80 -56.23 -14.09 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.893 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -53.26 -68.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 72.2 110.938 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 6' ' ' ASP . 8.0 p30 -52.68 -47.84 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.858 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.76 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 52.3 t80 -53.59 -70.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 75.24 110.9 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.54 HG23 ' CE2' ' A' ' 7' ' ' PHE . 1.2 t -51.43 -43.13 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 64.23 111.122 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.438 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.99 -48.09 70.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 34.43 111.109 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.551 HG21 ' O ' ' A' ' 28' ' ' ARG . 29.4 m -57.73 -53.29 59.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 64.31 111.126 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' CD1' HD13 ' A' ' 68' ' ' ILE . 14.2 tp -55.55 -50.92 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 63.13 110.911 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -50.91 -53.72 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 64.51 110.929 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -57.7 -30.39 65.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 55.35 110.862 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.687 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -58.08 -61.46 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.839 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' CB ' ' CE1' ' A' ' 61' ' ' HIS . 12.8 pttt -54.35 -36.83 64.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 73.21 110.928 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.14 -28.11 56.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 61.15 110.882 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 17' ' ' PHE . 14.2 mt -67.31 98.85 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.94 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -25.86 6.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 71.52 110.915 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.12 51.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 64.32 110.819 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.7 42.65 1.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 71.02 112.511 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.687 HG23 ' CZ ' ' A' ' 17' ' ' PHE . 6.7 mt -49.1 104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 54.11 111.07 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -100.33 127.43 46.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.843 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.77 -27.23 49.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 73.1 112.488 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.47 -54.2 15.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 71.52 110.865 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.551 ' O ' HG21 ' A' ' 13' ' ' THR . 10.4 mpt_? -50.56 -52.66 36.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.875 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.5 HG23 ' HA ' ' A' ' 68' ' ' ILE . 80.6 mt -50.99 -46.95 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 64.42 111.168 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' O ' HG22 ' A' ' 34' ' ' THR . 17.3 mtmt -55.24 -52.1 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.878 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -51.22 -49.96 60.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 72.4 110.899 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 10' ' ' PHE . 5.1 mt -58.16 -47.59 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.914 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.528 HG23 ' HA ' ' A' ' 72' ' ' ILE . 2.9 m -57.75 -69.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 72.4 111.168 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 35' ' ' TYR . 9.1 t -43.01 -45.11 4.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 33.45 111.163 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.471 ' N ' HG23 ' A' ' 34' ' ' THR . 13.8 t80 -58.16 -57.52 12.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 71.01 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.69 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.81 -56.86 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 73.31 111.105 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD23 ' HG3' ' A' ' 79' ' ' GLU . 3.9 mp -57.39 -47.81 80.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 62.05 110.917 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -56.31 -24.81 45.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.845 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.668 ' HB2' HD11 ' A' ' 42' ' ' ILE . 30.1 m-70 -132.89 85.11 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.31 110.854 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.522 HG22 HG22 ' A' ' 93' ' ' THR . 19.4 mm -77.99 -1.38 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 51.21 111.108 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -90.41 21.57 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 44.3 110.918 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.4 pt -149.27 27.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 60.03 111.091 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.699 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.6 pm0 -57.18 -35.69 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.892 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.4 t -58.65 -73.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.3 110.838 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.46 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.18 -46.63 23.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.921 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.76 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 68.7 mt -55.98 -72.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.05 111.127 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.709 HD12 HD11 ' A' ' 101' ' ' LEU . 40.8 mm -47.39 -45.05 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 63.54 111.11 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -59.19 -43.09 92.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 70.22 110.838 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.33 -65.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 42.25 110.915 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.58 HD12 HG12 ' A' ' 69' ' ' ILE . 6.8 pt -48.05 -46.38 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.3 111.132 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.434 HD12 HG22 ' A' ' 47' ' ' ILE . 74.6 mt -56.68 -58.3 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 64.32 111.132 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.36 -47.8 75.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.831 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.743 ' HA ' HD12 ' A' ' 56' ' ' LEU . 3.0 t80 -54.2 -35.34 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.22 110.869 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 t -62.22 -75.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 54.23 110.848 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -26.52 59.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 63.1 110.878 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 53' ' ' TYR . 3.8 mt -40.99 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 72.14 110.89 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.657 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -94.32 170.16 8.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 53.21 110.903 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 59' ' ' ASP . 54.1 Cg_endo -69.73 -159.11 0.05 OUTLIER 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.694 2.263 . . . . 74.42 112.358 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.1 OUTLIER -28.96 -53.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.883 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.481 ' C ' ' O ' ' A' ' 59' ' ' ASP . 15.8 t -30.67 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.841 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.657 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.5 m80 -61.97 -47.16 86.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 71.05 110.904 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' A' ' 112' ' ' ALA . 11.4 mttp -34.2 -64.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 71.14 110.907 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 13.5 tp -57.91 -54.99 40.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.901 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.88 -59.14 7.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 74.51 112.475 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.8 p -48.75 -53.57 18.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 73.0 110.897 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.59 HD12 HG12 ' A' ' 124' ' ' ILE . 0.5 OUTLIER -43.18 -54.68 4.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.488 . . . . 53.53 110.944 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.543 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 13.8 m-85 -56.38 -48.85 76.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 72.32 110.917 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.5 ' HA ' HG23 ' A' ' 29' ' ' ILE . 8.2 mt -57.01 -56.44 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.062 -0.517 . . . . 74.3 111.152 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.58 HG12 HD12 ' A' ' 50' ' ' ILE . 56.0 mt -55.54 -37.01 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.084 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -56.22 -57.65 11.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.912 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 t -55.69 -54.15 47.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 63.11 110.835 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.528 ' HA ' HG23 ' A' ' 33' ' ' THR . 63.1 mt -55.09 -46.58 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 73.23 111.126 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.409 ' HA3' HD21 ' A' ' 136' ' ' LEU . . . -55.29 -57.82 16.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 72.0 112.478 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' NH2' HD22 ' B' 1012 ' ' LEU . 0.0 OUTLIER -50.21 -55.99 12.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.21 110.893 -179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.535 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -56.13 -54.89 39.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.01 111.115 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.69 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.1 m-30 -51.26 -50.24 59.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.01 110.916 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp -51.27 -58.08 7.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 52.31 110.875 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -42.51 68.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.863 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.55 ' HG3' HD23 ' A' ' 37' ' ' LEU . 27.8 mm-40 -55.59 -71.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.884 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.2 t -54.48 -45.34 73.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.125 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.413 ' N ' HG23 ' A' ' 80' ' ' THR . 52.7 ttt180 -52.05 -37.66 54.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 70.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.21 -30.22 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 72.45 110.863 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -118.77 -76.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 72.23 110.869 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.8 t -168.85 158.45 8.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.818 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -117.14 -175.49 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 64.1 110.867 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.55 ' H ' ' HB1' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -178.51 -175.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.877 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.0 t -172.64 160.72 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 61.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 t -174.87 35.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 73.55 110.818 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.4 t30 51.14 49.49 21.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 72.43 110.91 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -177.05 137.84 0.42 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.536 0.684 . . . . 64.11 110.916 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.444 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.3 Cg_endo -69.79 160.83 48.26 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.677 2.251 . . . . 61.44 112.315 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.555 ' O ' HG23 ' A' ' 93' ' ' THR . . . 177.54 -31.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 73.23 112.488 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 92' ' ' GLY . 0.6 OUTLIER -166.07 -175.22 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.299 . . . . 54.51 111.199 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.19 -52.02 7.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 73.54 110.887 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.55 ' HB1' ' H ' ' A' ' 86' ' ' SER . . . -48.62 -66.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 62.33 111.127 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 79.8 m-70 -52.65 -39.65 62.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 61.31 110.849 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.699 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -54.34 -58.01 9.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 74.52 111.149 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 68.3 mt -55.02 -45.08 76.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.25 111.163 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -55.82 -52.06 65.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.933 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.8 m -55.3 -51.96 65.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 71.21 111.114 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.709 HD11 HD12 ' A' ' 47' ' ' ILE . 40.2 mt -53.1 -56.68 14.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.914 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -57.83 -17.71 29.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 74.03 112.489 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.555 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -86.32 -14.4 43.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 73.41 110.851 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.555 HG13 ' HG2' ' A' ' 103' ' ' GLU . 4.3 m -117.36 -18.75 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.35 111.137 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.6 tp -51.99 -26.67 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.02 111.11 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.899 ' HA ' ' HB2' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -55.49 -72.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 54.22 110.918 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -56.16 -42.29 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 49.0 mt -55.11 -60.71 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 70.22 110.915 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.661 HD13 HD21 ' A' ' 128' ' ' LEU . 15.0 mt -53.79 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 54.21 110.899 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 109' ' ' LEU . 7.5 p -37.17 -63.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 54.43 110.906 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -49.39 -50.47 40.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 63.01 110.927 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.484 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -47.75 -56.91 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.51 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.6 HG22 HD13 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -56.49 -49.08 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.158 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.431 ' HA ' ' HB3' ' A' ' 154' ' ' LEU . . . -58.19 -66.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 25.35 111.091 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -45.84 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.877 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.508 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 73.3 p -60.59 163.11 5.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.842 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.462 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.5 OUTLIER -100.1 178.06 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 74.44 110.877 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.611 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 0.9 OUTLIER -39.05 -52.63 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.92 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -62.89 -72.95 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 62.25 110.866 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.508 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 16.0 m170 -45.44 -58.66 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 64.11 110.859 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.52 -39.37 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 65.0 110.922 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -60.9 -44.55 96.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 70.12 110.893 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -57.17 -48.34 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 73.21 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.59 HG12 HD12 ' A' ' 66' ' ' LEU . 24.1 mt -56.91 -49.38 79.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 65.42 111.176 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -52.22 53.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.869 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.9 tpp -55.68 -49.53 72.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 52.45 110.904 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.637 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 20.7 tp -51.32 -45.73 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.891 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.661 HD21 HD13 ' A' ' 109' ' ' LEU . 5.2 mt -55.71 -49.01 74.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 74.14 110.948 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -51.08 62.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.818 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.8 mt -57.86 -44.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.44 111.141 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.637 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 17.6 m0 -51.22 -58.38 6.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.894 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.5 -47.25 76.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 72.25 110.908 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -55.27 -54.65 40.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 62.45 110.879 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.1 t -55.06 -75.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.899 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 139.86 39.5 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 64.22 112.474 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.409 HD21 ' HA3' ' A' ' 73' ' ' GLY . 29.9 tp -99.54 -76.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 72.02 110.922 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -98.83 23.77 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 64.41 110.885 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -74.86 69.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 51.4 110.909 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -98.18 -9.88 24.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.85 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.8 p 53.28 24.18 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 61.55 110.859 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.545 ' N ' HD13 ' A' ' 142' ' ' LEU . 4.8 t80 -146.29 62.83 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 73.44 110.854 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.863 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -125.95 119.09 26.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 72.34 110.919 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.508 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 6.4 t30 -55.21 -25.2 31.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.901 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.899 ' HB2' ' HA ' ' A' ' 106' ' ' GLN . . . -39.81 -94.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 71.45 111.078 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.652 HG21 HD13 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -68.85 -21.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 71.33 111.143 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.508 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 3.3 ttt180 -39.09 -54.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.23 110.893 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 p -74.3 89.43 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 53.21 110.874 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -40.33 -38.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 72.55 110.943 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 4.0 m -39.18 -41.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.878 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -57.71 -87.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.847 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.542 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -43.5 -48.14 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 64.33 111.118 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.423 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 4.9 mtt -52.14 -50.46 61.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 65.15 110.891 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.22 -67.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.856 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.6 HD13 HG22 ' A' ' 113' ' ' ILE . 0.7 OUTLIER -49.11 -31.55 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.906 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -49.56 100.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 65.23 110.836 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -66.66 -31.76 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 52.22 110.836 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -64.84 140.99 58.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.839 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -70.4 119.18 14.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 62.43 110.885 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -120.55 168.53 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.834 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -114.84 83.45 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.811 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 70.35 110.85 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.789 0.328 . . . . 72.02 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 1.8 t0 -176.66 33.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 63.33 110.833 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.49 165.01 30.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 64.02 110.911 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -51.44 113.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 54.11 110.897 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -118.27 160.57 21.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.866 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 80.62 77.23 0.99 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 72.13 112.541 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 2.5 t80 -80.47 122.98 27.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.902 0.382 . . . . 63.34 110.867 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -91.37 114.62 62.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 75.41 110.936 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -7.68 21.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 51.35 112.382 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -23.54 57.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.927 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 19.5 p -130.75 132.35 45.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 74.3 111.168 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.408 HD22 ' NH2' ' A' ' 74' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 71.03 110.909 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.2 mmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.663 0.268 . . . . 61.4 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -101.05 27.08 6.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 60.24 110.862 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -166.24 140.63 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.873 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.9 133.14 54.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.876 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -121.38 -6.55 9.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.857 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -85.32 -95.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 70.21 110.863 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -56.82 -32.85 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 75.54 110.899 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -57.59 -55.04 40.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.7 -53.43 54.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 53.3 110.861 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.767 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 32.9 t80 -54.59 -69.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 64.41 110.891 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -48.38 -45.42 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 51.3 111.147 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -51.44 -50.62 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.127 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 28' ' ' ARG . 28.1 m -56.69 -53.5 57.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 72.12 111.187 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 53' ' ' TYR . 9.8 tp -55.7 -53.62 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 44.43 110.87 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.04 -59.92 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 72.43 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -30.78 54.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 65.4 110.841 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -64.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 72.52 110.893 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -55.86 -36.52 67.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.84 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -56.02 -24.55 39.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 64.51 110.875 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.4 mt -71.55 165.03 24.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 52.33 110.941 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 67.45 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 75.15 110.924 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 p 66.69 28.85 8.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 53.22 110.876 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.23 -44.55 7.99 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 70.23 112.51 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 mt 50.64 79.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 74.15 111.132 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.17 124.67 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.876 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.86 -36.89 51.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 74.22 112.513 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -51.34 57.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 74.05 110.826 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.567 ' O ' HG21 ' A' ' 13' ' ' THR . 9.9 mpt_? -52.25 -62.45 1.63 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 75.33 110.863 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.49 ' HA ' HD12 ' A' ' 32' ' ' LEU . 56.3 mt -47.46 -42.87 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 65.22 111.119 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.653 ' O ' HG22 ' A' ' 34' ' ' THR . 16.4 mttt -56.4 -54.19 48.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.926 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -48.48 64.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 55.43 110.913 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.539 HD23 ' CD1' ' A' ' 10' ' ' PHE . 9.9 mt -57.57 -52.11 66.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.946 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.411 ' HA ' HG12 ' A' ' 72' ' ' ILE . 6.3 m -57.91 -71.91 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 52.02 111.1 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.6 t -41.33 -44.29 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 74.54 111.173 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' HG23 ' A' ' 34' ' ' THR . 13.7 t80 -58.68 -56.85 16.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.933 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.13 -56.64 8.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 72.03 111.091 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.745 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.3 mp -57.54 -47.42 82.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 62.13 110.931 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -57.16 -23.89 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.849 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.618 ' HB2' HD11 ' A' ' 42' ' ' ILE . 32.6 m170 -133.92 85.07 2.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.846 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.602 HG22 HG22 ' A' ' 93' ' ' THR . 21.5 mm -77.94 -2.84 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 63.11 111.134 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -88.82 23.49 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 44.23 110.867 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.618 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.6 pt -151.5 30.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.1 111.165 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 2.2 pp20? -58.04 -37.18 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.869 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.3 t -58.14 -73.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 65.43 110.847 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.567 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.69 -47.13 20.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 75.21 110.878 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.767 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 81.7 mt -55.96 -72.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 72.14 111.139 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.726 HD12 HD11 ' A' ' 101' ' ' LEU . 42.4 mm -46.84 -47.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.43 111.124 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 m -57.01 -42.23 79.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 71.52 110.855 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.451 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.2 tp -58.33 -65.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 62.01 110.929 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 47' ' ' ILE . 8.0 pt -49.16 -44.95 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 71.12 111.156 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.2 mt -55.71 -63.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 62.33 111.166 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.85 -48.4 75.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 70.31 110.883 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.466 ' CB ' HD21 ' A' ' 14' ' ' LEU . 1.5 t80 -51.24 -40.03 57.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.922 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.599 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 25.6 p -62.25 -77.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.907 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.561 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -41.61 -34.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 62.42 110.88 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' HG ' ' HD3' ' A' ' 55' ' ' ARG . 17.4 mt -58.36 -77.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.952 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.42 155.13 1.35 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 74.5 110.869 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -155.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.733 2.289 . . . . 71.41 112.353 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.475 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 5.8 p-10 -40.08 -47.07 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 70.02 110.888 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -44.11 -40.06 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 62.41 110.853 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -58.22 -47.23 84.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.845 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.523 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -45.01 -63.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.91 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.9 tp -61.3 -58.23 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.975 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.56 -70.93 0.71 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 73.13 112.484 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -39.06 -53.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 71.32 110.865 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.728 HD22 HD23 ' A' ' 127' ' ' LEU . 4.6 mt -43.89 -53.66 5.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 55.14 110.865 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -58.07 -48.87 78.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 72.51 110.889 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.8 mt -56.15 -59.56 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 72.41 111.14 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.9 mt -56.08 -33.07 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.155 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -58.11 -57.42 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 74.31 110.876 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -55.8 -57.0 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 63.42 110.888 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 33' ' ' THR . 62.0 mt -55.22 -45.57 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 52.22 111.132 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.61 -62.89 5.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 74.14 112.491 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.532 HH12 HD22 ' B' 1012 ' ' LEU . 2.1 mtm105 -48.47 -54.32 14.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 75.32 110.882 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.745 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -54.78 -60.51 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 54.32 111.112 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.589 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.1 m-30 -48.77 -49.23 39.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.866 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.527 HD23 ' HA3' ' A' ' 135' ' ' GLY . 49.9 tp -51.93 -61.87 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 74.3 110.923 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.95 -41.47 64.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.903 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.64 ' HG3' HD23 ' A' ' 37' ' ' LEU . 6.8 mm-40 -53.95 -72.86 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 70.41 110.878 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.1 t -55.48 -42.83 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 52.52 111.153 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -51.82 -39.21 58.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.55 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.4 t -51.16 -30.39 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.872 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -112.27 -74.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 70.33 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.54 133.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 65.22 110.838 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -63.84 106.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 74.41 110.926 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -52.54 167.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 51.24 110.835 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.1 m -52.92 129.32 30.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.869 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.4 t -78.29 60.28 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.846 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -144.4 116.97 8.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 74.44 110.902 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? 63.37 160.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.528 0.68 . . . . 64.53 110.905 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 155.98 64.64 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 73.12 112.372 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.61 -43.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 70.2 112.504 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.602 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -158.24 -174.27 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 72.44 111.143 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.432 ' SG ' HD12 ' A' ' 40' ' ' ILE . 88.6 m -45.43 -35.32 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 54.53 110.906 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.47 -71.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 64.02 111.102 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.458 ' HA ' HD22 ' A' ' 99' ' ' ASN . 34.0 t-80 -53.26 -36.32 61.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -57.54 -54.87 41.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 61.15 111.086 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.516 HD11 ' HA ' ' A' ' 77' ' ' LEU . 74.1 mt -55.58 -58.59 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.136 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.458 HD22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -55.37 -45.19 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.886 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.5 m -56.03 -58.95 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 71.35 111.138 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.726 HD11 HD12 ' A' ' 47' ' ' ILE . 35.7 mt -51.11 -55.52 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.935 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -57.47 -17.08 24.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 34.33 112.506 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.592 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -84.86 -14.31 48.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 75.1 110.892 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.63 HG23 HD11 ' A' ' 108' ' ' LEU . 3.0 m -119.9 -17.18 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 71.54 111.085 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.786 ' HA ' HD12 ' A' ' 108' ' ' LEU . 2.3 tp -53.29 -26.24 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 73.33 111.153 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.458 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -51.23 -68.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 60.01 110.911 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -55.71 -44.03 77.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 75.33 110.897 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 105' ' ' ILE . 21.7 mt -55.24 -69.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.934 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.604 HD12 ' CG1' ' A' ' 105' ' ' ILE . 1.2 mt -52.17 -63.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 75.41 110.946 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 109' ' ' LEU . 43.0 m -36.99 -71.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 65.35 110.889 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.06 -41.05 16.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 61.23 110.817 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 109' ' ' LEU . . . -57.07 -60.95 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.071 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.604 HG22 ' CD1' ' A' ' 154' ' ' LEU . 0.9 OUTLIER -55.52 -45.58 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 60.31 111.164 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.46 -69.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 74.0 111.126 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.7 -50.55 63.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.883 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.505 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 96.1 p -48.27 145.74 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 54.22 110.829 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 118' ' ' GLN . 0.4 OUTLIER -98.05 -177.87 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 51.23 110.89 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.601 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 64.9 tt0 -35.82 -55.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.949 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.44 -72.97 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.848 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.505 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 18.8 m170 -45.46 -58.86 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 71.02 110.875 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.601 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.42 -38.21 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.922 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -61.46 -43.75 98.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.892 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -58.3 -45.09 88.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 63.3 110.89 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.602 HG21 HG12 ' A' ' 113' ' ' ILE . 40.3 mt -61.82 -46.32 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 75.02 111.144 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -55.34 -60.1 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 61.13 110.847 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 127' ' ' LEU . 26.8 ptm -52.21 -42.34 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 65.44 110.846 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.728 HD23 HD22 ' A' ' 66' ' ' LEU . 39.5 tp -55.39 -46.58 76.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 73.24 110.97 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.71 HD11 HG21 ' A' ' 145' ' ' ILE . 0.1 OUTLIER -56.21 -49.45 74.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.895 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -51.93 -51.48 56.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 71.3 110.851 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.64 -41.67 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 72.4 111.117 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.516 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 8.4 m0 -55.35 -56.12 23.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.878 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -51.36 -52.71 43.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -56.9 -72.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 43.23 110.869 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.4 t -58.85 -80.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 55.22 110.867 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.527 ' HA3' HD23 ' A' ' 77' ' ' LEU . . . -154.89 145.37 12.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 52.11 112.465 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.605 ' O ' ' C ' ' A' ' 137' ' ' PHE . 2.7 tm? -160.66 134.36 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 75.42 110.923 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.605 ' C ' ' O ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -19.36 -68.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 53.0 110.883 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -102.63 155.43 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.911 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.5 77.26 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.53 110.9 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.0 p 48.11 58.34 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.841 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -149.75 22.1 0.9 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 74.1 110.976 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.76 93.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 70.42 110.922 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.414 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 43.9 m-80 -39.3 -40.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.921 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -42.55 -90.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 65.34 111.088 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.71 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -63.79 -26.66 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 74.41 111.097 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.414 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 3.0 ttt180 -38.58 -51.96 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 72.32 110.88 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.5 t -57.06 98.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 42.32 110.829 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.55 -28.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 61.34 110.875 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 15.5 t -49.01 -35.2 14.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 63.51 110.865 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -56.77 -86.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.14 110.899 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.499 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -45.6 -47.2 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 74.02 111.085 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.431 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 63.7 mmm -52.36 -49.68 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.863 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.66 -68.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 72.31 110.889 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.604 ' CD1' HG22 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -48.49 -32.07 7.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.909 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.2 OUTLIER -47.71 -32.51 5.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 71.35 110.888 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -51.95 115.31 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.876 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -176.44 -175.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.856 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 -52.68 115.53 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 65.11 110.894 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -80.45 -175.66 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 71.2 110.839 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -152.46 -175.97 5.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.874 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 65.14 110.836 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 45.6 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.82 0.343 . . . . 64.11 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -134.79 30.52 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.852 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -94.26 54.55 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.856 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 26.1 tt0 59.06 76.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 64.13 110.883 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.42 179.1 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 74.42 110.858 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 92.07 34.37 7.23 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 73.3 112.459 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 45.6 t80 -55.57 119.91 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 74.31 110.904 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -96.61 137.16 21.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.73 . . . . 62.14 110.892 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . 0.511 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.7 Cg_endo -69.78 -11.26 30.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.622 2.214 . . . . 65.1 112.357 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.35 -25.03 24.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.9 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 11.5 p -144.34 128.13 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 72.2 111.137 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.572 ' H ' HD23 ' B' 1012 ' ' LEU . 1.3 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.906 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.724 0.297 . . . . 73.33 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -139.18 152.74 47.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.871 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -79.9 -25.31 40.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.887 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.62 -13.78 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 72.02 110.899 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -138.08 70.41 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 71.14 110.876 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -98.63 -164.03 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.843 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -46.9 -29.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.865 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -49.93 -57.32 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.947 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.41 -51.65 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.52 110.893 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.8 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 30.0 t80 -56.03 -69.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 71.03 110.89 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.94 -45.24 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.134 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.438 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.29 -49.53 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 54.43 111.083 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.595 HG21 ' O ' ' A' ' 28' ' ' ARG . 38.8 m -57.64 -53.79 54.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 63.35 111.134 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.472 HD21 ' CB ' ' A' ' 53' ' ' TYR . 11.2 tp -55.51 -54.18 47.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 64.13 110.933 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -49.58 -55.55 13.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 72.53 110.923 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.9 t -56.13 -31.54 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 54.52 110.821 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.517 ' HZ ' HG23 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -56.52 -62.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.888 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -56.84 -36.19 69.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 63.1 110.901 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -56.44 -23.77 40.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 71.4 110.816 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.1 mt -74.12 167.77 20.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 73.23 110.926 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.24 65.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 73.14 110.918 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 67.97 34.26 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 75.21 110.864 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.18 -51.2 3.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 61.24 112.46 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.517 HG23 ' HZ ' ' A' ' 17' ' ' PHE . 7.3 mt 56.88 80.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 74.13 111.116 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.13 125.73 31.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 54.41 110.895 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.35 -38.03 40.67 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 60.12 112.508 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -55.08 -47.6 74.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 75.53 110.893 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.595 ' O ' HG21 ' A' ' 13' ' ' THR . 5.4 mpt_? -52.83 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 65.24 110.874 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.615 ' HA ' HD12 ' A' ' 32' ' ' LEU . 79.1 mt -47.53 -43.62 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 52.25 111.135 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 34' ' ' THR . 16.3 mtmt -56.05 -53.23 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.898 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.76 -47.57 64.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.907 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 29' ' ' ILE . 6.7 mt -57.87 -51.8 68.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 64.32 110.901 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.423 HG23 ' HA ' ' A' ' 72' ' ' ILE . 16.4 m -57.51 -70.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.154 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.2 t -42.68 -45.29 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 51.34 111.195 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.478 ' N ' HG23 ' A' ' 34' ' ' THR . 19.7 t80 -58.25 -54.46 46.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 65.13 110.931 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.616 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.17 -57.08 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 30.12 111.093 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.712 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.1 mp -57.42 -46.64 83.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.915 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -55.59 -27.47 49.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 74.52 110.856 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.671 ' HB3' HD11 ' A' ' 42' ' ' ILE . 3.1 t-160 -130.54 84.54 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.831 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.587 HG22 ' O ' ' A' ' 40' ' ' ILE . 21.4 mm -79.5 2.33 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.132 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -92.97 17.3 10.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 65.24 110.856 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.671 HD11 ' HB3' ' A' ' 39' ' ' HIS . 3.0 pt -147.56 33.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 70.43 111.124 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.714 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -59.44 -34.14 72.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.871 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 33.1 t -59.73 -73.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.831 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.478 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.25 -47.61 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.914 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.8 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 68.4 mt -56.56 -73.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.16 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.788 HD12 HD11 ' A' ' 101' ' ' LEU . 40.4 mm -45.78 -49.75 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 64.24 111.154 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.2 m -56.91 -41.74 78.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 72.1 110.848 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.6 tp -57.6 -66.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 74.3 110.891 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.476 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.6 pt -48.8 -44.7 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.54 111.14 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.491 ' CD1' HG22 ' A' ' 47' ' ' ILE . 74.3 mt -55.7 -63.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 73.4 111.161 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -49.88 74.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 72.31 110.84 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.472 ' CB ' HD21 ' A' ' 14' ' ' LEU . 3.6 t80 -48.73 -41.56 32.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.2 110.959 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 56.3 p -62.24 -76.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 60.12 110.838 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.519 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -41.91 -35.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 71.05 110.888 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.29 -77.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 60.35 110.916 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 61' ' ' HIS . 88.4 m -47.41 150.14 1.72 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.635 0.731 . . . . 41.51 110.857 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -153.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.734 2.29 . . . . 75.32 112.315 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.86 -46.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.82 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.5 t -43.22 -42.61 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 61.42 110.831 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.527 ' CG ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -58.06 -46.84 84.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 61.51 110.857 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.532 ' O ' HD12 ' A' ' 66' ' ' LEU . 12.0 mtmt -42.41 -67.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.876 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.22 -59.72 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 71.25 110.953 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -49.71 -71.85 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.722 . . . . 74.24 112.449 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLY . 33.4 t -37.25 -61.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 64.03 110.871 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.764 ' CD2' HD23 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -41.42 -53.8 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.891 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -57.91 -47.69 82.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 75.02 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.404 HD13 ' CD1' ' A' ' 14' ' ' LEU . 73.8 mt -56.41 -54.19 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 71.23 111.134 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.1 mt -56.29 -38.49 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 73.53 111.157 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.552 ' HA ' HD11 ' A' ' 136' ' ' LEU . 4.6 t70 -57.51 -54.84 42.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 74.04 110.853 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.66 -64.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.843 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.423 ' HA ' HG23 ' A' ' 33' ' ' THR . 47.3 mt -51.67 -44.65 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 75.01 111.134 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.47 -59.71 8.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 63.4 112.559 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' HG2' HD22 ' A' ' 136' ' ' LEU . 2.7 mtm105 -51.96 -53.8 37.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 74.4 110.842 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.712 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -55.09 -63.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 61.31 111.118 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.616 ' O ' HG22 ' A' ' 80' ' ' THR . 2.4 m-30 -48.64 -44.16 37.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 71.23 110.929 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.556 HD22 ' O ' ' A' ' 136' ' ' LEU . 15.7 tp -54.24 -58.55 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 60.35 110.928 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -39.72 67.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 62.45 110.846 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.478 ' HG3' HD23 ' A' ' 37' ' ' LEU . 18.5 mm-40 -55.96 -73.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.41 110.916 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.744 HG21 HD12 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -55.41 -35.98 65.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 70.11 111.137 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.75 -48.0 73.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 62.44 110.88 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.0 t -54.73 -35.31 63.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.848 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -179.42 152.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 72.31 110.913 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 t 64.04 106.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.903 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -148.64 51.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.924 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.77 172.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.31 110.888 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 p -137.6 132.62 33.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 70.5 110.858 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 t -165.12 -178.48 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 52.13 110.885 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -88.35 -67.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 75.4 110.908 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -64.35 159.04 61.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.554 0.692 . . . . 74.53 110.95 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.3 Cg_endo -69.8 169.57 18.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.675 2.25 . . . . 61.3 112.312 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.52 -49.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 43.34 112.508 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.582 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -153.76 -175.21 5.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 70.55 111.104 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.3 p -40.59 -52.05 2.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 65.32 110.867 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.46 -68.0 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.34 111.043 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 3.3 m-70 -50.44 -39.91 48.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 72.34 110.825 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.59 -52.17 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 61.43 111.141 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.744 HD12 HG21 ' A' ' 80' ' ' THR . 39.6 mt -56.33 -58.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.4 111.153 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.52 65.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 71.25 110.857 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.6 m -56.62 -54.19 48.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 61.14 111.142 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.788 HD11 HD12 ' A' ' 47' ' ' ILE . 30.8 mt -55.16 -53.95 49.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.41 110.89 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.76 -14.98 24.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 73.01 112.468 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.556 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -89.91 -10.0 46.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 65.34 110.904 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.556 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.1 m -122.5 -19.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 73.03 111.148 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.753 HG13 HD12 ' A' ' 109' ' ' LEU . 1.6 tp -50.82 -31.42 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.54 111.147 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.441 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -48.29 -70.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.927 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.55 -37.71 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.835 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.64 -74.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 62.5 110.919 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.972 HD13 HD12 ' A' ' 145' ' ' ILE . 0.3 OUTLIER -51.81 -60.29 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.939 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' LEU . 88.6 p -37.64 -63.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.836 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -52.47 -46.57 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 71.31 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.466 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.64 -60.85 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 44.11 111.051 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.2 mt -51.08 -47.34 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 61.53 111.112 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.45 -69.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 71.53 111.147 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.19 -53.97 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 61.54 110.901 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.498 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 96.2 p -43.32 143.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.34 110.889 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.53 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -91.27 -174.94 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 61.04 110.88 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.537 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 20.0 tt0 -43.18 -54.03 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 65.24 110.932 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.51 -65.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 53.01 110.871 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.53 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 35.7 m170 -48.61 -61.08 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 55.32 110.873 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -47.96 -35.28 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 71.32 110.864 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -60.19 -54.63 43.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 55.34 110.891 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -51.22 -48.6 62.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 72.51 110.868 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.683 HG12 HD13 ' A' ' 66' ' ' LEU . 73.0 mt -56.77 -51.12 71.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 72.33 111.122 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -49.37 -53.29 23.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 62.51 110.842 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.07 -46.2 75.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 54.14 110.835 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.764 HD23 ' CD2' ' A' ' 66' ' ' LEU . 19.4 tp -55.27 -46.77 76.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 1.043 HD11 HG21 ' A' ' 145' ' ' ILE . 11.6 mt -56.15 -49.29 74.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 70.34 110.878 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -52.49 -50.45 62.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 63.52 110.856 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.453 HG21 ' HA ' ' B' 1010 ' ' TYR . 68.2 mt -57.28 -42.04 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 71.14 111.106 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.458 ' HE1' HD11 ' A' ' 127' ' ' LEU . 45.2 m0 -55.1 -56.36 20.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 71.24 110.903 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.27 -55.51 30.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.893 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -72.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.0 m -56.11 -76.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 63.05 110.884 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 147.22 129.62 1.97 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.791 -0.718 . . . . 74.11 112.49 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.556 ' O ' HD22 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -126.25 -172.17 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 71.41 110.904 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.715 ' HB2' HG23 ' A' ' 98' ' ' ILE . 45.1 p90 -48.57 -32.84 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.858 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.494 ' HB3' HD12 ' A' ' 142' ' ' LEU . 0.1 OUTLIER -58.42 109.98 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 72.52 110.934 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -50.11 -30.58 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.916 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.1 m -145.7 -50.21 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 71.03 110.869 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.668 ' C ' HD13 ' A' ' 142' ' ' LEU . 10.8 p90 178.15 -176.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 73.31 110.918 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.799 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -141.8 127.5 19.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 63.01 110.921 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 9.1 t30 -56.43 -21.53 25.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.927 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -42.49 -94.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 75.22 111.052 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 1.043 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -67.07 -24.3 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.23 111.084 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.441 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 2.0 ttm180 -43.95 -52.67 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.864 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.5 t -55.51 100.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 52.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -28.86 2.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 74.13 110.944 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.5 m -49.73 -29.51 7.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 60.23 110.874 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.617 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 3.9 m-85 -57.89 -95.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.852 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 1.042 ' HA ' HD22 ' A' ' 154' ' ' LEU . . . -39.58 -38.43 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.4 111.075 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.458 ' O ' ' HG2' ' A' ' 155' ' ' GLU . 22.7 mtp -60.87 -70.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 70.45 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -65.63 -53.66 38.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 72.31 110.857 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.042 HD22 ' HA ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -44.01 -30.62 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.896 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.935 ' N ' HD23 ' A' ' 154' ' ' LEU . 3.9 pt-20 -97.0 -31.93 12.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.905 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -68.37 -18.89 64.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 72.21 110.856 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 39.19 42.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 63.43 110.85 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -69.25 87.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.852 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -72.67 139.33 47.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 65.24 110.823 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -123.65 143.29 50.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.814 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 9.0 t60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 72.42 110.863 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.757 0.313 . . . . 74.42 110.898 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -78.02 136.57 37.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.819 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 63.36 163.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 64.41 110.871 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -62.1 118.32 7.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 70.14 110.857 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -121.6 137.64 54.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.871 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 124.92 56.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 53.43 112.497 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 81.3 t80 -54.12 129.01 33.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 74.23 110.887 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . 0.426 ' HA ' ' HD2' ' B' 1009 ' ' PRO . 15.8 t-20 -104.46 98.26 14.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.604 0.716 . . . . 70.04 110.868 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' B' 1008 ' ' ASN . 53.7 Cg_endo -69.82 -17.82 37.1 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 61.21 112.341 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . 0.453 ' HA ' HG21 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -70.86 -31.83 68.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.885 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 16.2 p -147.12 127.14 13.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 65.11 111.111 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 3.1 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 71.03 110.87 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.718 0.294 . . . . 73.01 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -144.84 174.95 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.892 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -52.82 -43.48 66.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.949 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.25 145.92 10.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.9 t0 64.98 59.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 33.13 110.869 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.49 -164.15 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 65.51 110.839 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -46.45 -29.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.87 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -50.23 -56.81 9.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 72.24 110.965 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -53.21 -51.82 60.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 62.2 110.84 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.813 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 36.1 t80 -55.85 -69.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.884 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.88 -44.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 72.35 111.111 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.8 -49.35 68.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.35 111.079 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.584 HG21 ' O ' ' A' ' 28' ' ' ARG . 32.3 m -57.39 -52.69 64.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 75.13 111.146 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 53' ' ' TYR . 8.1 tp -55.89 -56.65 18.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.923 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.61 -57.63 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.865 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 t -56.48 -29.89 62.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 52.43 110.855 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.52 ' HD1' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -56.9 -62.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 65.33 110.85 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -56.18 -34.44 66.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.925 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -55.81 -22.03 22.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 74.22 110.844 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD12 ' HD1' ' A' ' 17' ' ' PHE . 52.1 mt -65.73 157.93 28.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.929 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 57.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.31 110.892 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t 70.25 38.98 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 61.14 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.92 -40.92 5.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 61.44 112.511 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 24' ' ' ILE . 10.5 mt 51.17 74.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 72.32 111.149 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.4 m -90.26 126.54 35.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 42.14 110.857 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.04 -26.68 49.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 74.23 112.545 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -49.33 -57.81 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 73.04 110.847 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.584 ' O ' HG21 ' A' ' 13' ' ' THR . 10.8 mpt_? -49.37 -53.91 20.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.869 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.8 mt -50.91 -45.2 28.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 62.1 111.132 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.645 ' O ' HG22 ' A' ' 34' ' ' THR . 11.4 mttt -55.35 -54.55 42.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.878 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.97 -50.13 61.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 71.24 110.901 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD23 ' CD1' ' A' ' 10' ' ' PHE . 11.5 mt -57.93 -52.06 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.915 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 72' ' ' ILE . 3.2 m -57.02 -71.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.168 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 30' ' ' LYS . 9.3 t -42.04 -43.72 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 75.44 111.156 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' N ' HG23 ' A' ' 34' ' ' THR . 19.9 t80 -58.07 -57.15 14.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.901 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.549 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -50.07 -51.16 44.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 63.44 111.076 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.557 ' HA ' HD11 ' A' ' 40' ' ' ILE . 4.1 mm? -55.18 -48.83 73.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 71.23 110.884 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -56.9 -30.61 64.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.841 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.697 ' HB3' HD11 ' A' ' 42' ' ' ILE . 6.0 t-160 -128.74 86.14 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.885 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.557 HD11 ' HA ' ' A' ' 37' ' ' LEU . 25.4 mm -80.77 1.88 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 73.44 111.147 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -90.23 14.66 12.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 54.34 110.869 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 39' ' ' HIS . 2.9 pt -139.95 31.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 62.13 111.155 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.649 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.2 pp20? -58.58 -36.61 74.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.14 110.845 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -58.38 -73.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 64.1 110.878 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' CD ' ' H ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -47.13 -47.92 23.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 71.13 110.899 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.813 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 67.5 mt -55.95 -69.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 71.32 111.152 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.686 HD12 HD11 ' A' ' 101' ' ' LEU . 33.8 mm -47.44 -49.57 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 73.02 111.086 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 m -57.05 -42.79 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.86 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.462 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.3 tp -57.54 -67.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 71.35 110.881 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.53 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.7 pt -46.94 -45.92 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 63.13 111.085 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.506 HD12 HG22 ' A' ' 47' ' ' ILE . 78.5 mt -55.79 -62.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.156 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -51.69 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.863 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CB ' HD21 ' A' ' 14' ' ' LEU . 4.1 t80 -49.82 -38.34 34.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 71.2 110.901 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.623 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 4.6 p -63.58 -75.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 41.34 110.873 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.623 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -42.04 -35.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 72.34 110.829 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.17 -75.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.943 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.51 151.85 1.83 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 50.33 110.92 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -153.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.713 2.275 . . . . 71.22 112.36 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 14.6 t70 -39.4 -45.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 71.34 110.84 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -44.19 -41.84 6.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 55.41 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -59.07 -47.89 83.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 65.54 110.881 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.532 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 40.6 mttm -44.08 -69.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 63.31 110.904 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 9.8 tp -63.33 -57.59 9.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 71.32 110.947 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -51.72 -75.54 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.756 . . . . 42.12 112.5 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' GLY . 3.5 p -38.12 -48.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 62.1 110.867 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.452 HD21 ' HG ' ' A' ' 109' ' ' LEU . 6.8 mt -45.95 -55.44 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.933 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.529 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 14.4 m-85 -57.61 -44.47 85.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.922 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.52 HD11 ' CD2' ' A' ' 17' ' ' PHE . 81.5 mt -56.83 -57.61 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 73.35 111.133 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.9 mt -55.73 -36.34 42.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 74.03 111.154 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.13 -54.41 47.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 50.2 110.853 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.8 m -55.38 -59.86 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 61.41 110.864 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.434 ' HA ' HG23 ' A' ' 33' ' ' THR . 49.8 mt -54.45 -51.03 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 65.12 111.133 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.51 ' C ' HD11 ' A' ' 136' ' ' LEU . . . -54.34 -54.0 34.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 60.31 112.489 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -58.82 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 64.04 110.843 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -55.33 -53.25 58.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 51.44 111.104 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.549 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.3 m-30 -52.09 -49.93 62.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.894 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -60.67 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 74.41 110.919 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.1 -41.09 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.887 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.472 ' HG3' HD12 ' A' ' 37' ' ' LEU . 9.3 mm-40 -55.81 -72.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.896 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.7 t -54.68 -43.27 72.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.497 . . . . 71.15 111.164 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.84 -37.06 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 44.43 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -51.81 -30.94 25.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.52 110.812 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -114.63 -75.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 70.13 110.902 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.7 t -171.98 140.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 71.2 110.883 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -94.68 85.52 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.892 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -101.77 131.47 48.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.916 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -174.95 130.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 73.35 110.865 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 m -117.04 -50.37 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 64.45 110.845 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -157.18 152.89 26.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 74.44 110.883 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp 64.6 153.89 0.12 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.602 0.715 . . . . 72.32 110.868 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 171.82 13.76 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.718 2.279 . . . . 65.22 112.313 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.86 -44.87 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 74.31 112.495 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -156.37 -173.72 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 72.24 111.114 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 80.1 m -45.2 -44.4 10.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.04 110.867 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.03 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 55.15 111.107 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -52.75 -34.97 55.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 65.42 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.37 -58.13 9.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 52.3 111.098 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 94' ' ' CYS . 3.6 mt -56.37 -47.52 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.52 111.129 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -56.52 -54.2 48.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 50.25 110.923 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.3 m -53.47 -49.04 68.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.14 111.126 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.686 HD11 HD12 ' A' ' 47' ' ' ILE . 25.7 mt -53.32 -56.37 17.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.912 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.57 -15.14 24.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 75.34 112.519 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.564 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.2 OUTLIER -86.41 -15.51 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 61.41 110.876 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.564 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -119.11 -21.92 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 60.41 111.117 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.825 HG21 HD21 ' A' ' 142' ' ' LEU . 1.6 tp -49.91 -30.25 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 70.51 111.141 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.41 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -45.29 -69.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.898 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.93 -39.91 72.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 41.13 110.928 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.502 HD22 ' OG ' ' A' ' 54' ' ' SER . 43.7 mt -56.38 -71.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.923 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.78 HD12 ' CG1' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -55.42 -62.84 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 65.15 110.917 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 109' ' ' LEU . 97.0 p -34.58 -60.55 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.855 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -55.26 -52.79 62.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.11 110.877 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.428 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . . . -48.41 -57.19 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 50.01 111.107 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.507 HG12 HG21 ' A' ' 124' ' ' ILE . 2.1 mt -54.78 -48.04 73.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.169 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.46 ' HB3' ' HE2' ' A' ' 115' ' ' LYS . . . -57.13 -68.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.078 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.46 ' HE2' ' HB3' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -51.55 -52.74 44.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.919 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 97.0 p -47.0 144.32 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 53.41 110.842 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 118' ' ' GLN . 0.7 OUTLIER -99.24 -178.09 3.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 73.54 110.901 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 30.1 tt0 -34.77 -55.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 33.25 110.912 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.22 -73.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.907 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.477 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 26.3 m170 -45.7 -58.64 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.848 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.583 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.58 -38.06 6.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.873 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.25 -45.62 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.871 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -57.27 -48.66 78.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 73.42 110.934 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.507 HG21 HG12 ' A' ' 113' ' ' ILE . 58.7 mt -58.24 -51.61 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.34 111.113 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -49.37 -53.99 19.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.866 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.78 -48.35 72.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.869 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.734 HD12 ' HG3' ' B' 1009 ' ' PRO . 12.5 tp -51.96 -47.0 64.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 55.42 110.94 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.623 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.3 OUTLIER -57.2 -49.33 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.931 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -50.83 -54.39 24.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 63.23 110.888 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.502 HD13 ' HG2' ' B' 1009 ' ' PRO . 8.1 mt -58.07 -40.63 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 62.42 111.132 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.531 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 31.0 m0 -51.16 -61.46 2.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 75.25 110.906 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -55.78 -47.68 76.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 54.5 110.889 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -55.72 -68.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 61.25 110.902 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.5 t -55.32 -77.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.3 110.833 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 174.5 104.13 0.17 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 71.54 112.498 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.51 HD11 ' C ' ' A' ' 73' ' ' GLY . 4.0 tp -179.95 114.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.819 0.342 . . . . 71.03 110.925 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 50.77 28.82 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 75.52 110.895 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -170.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 71.24 110.96 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.11 24.51 10.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.32 110.904 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 48.81 44.4 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.84 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -93.6 -12.24 29.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.91 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.825 HD21 HG21 ' A' ' 105' ' ' ILE . 1.8 mt -77.79 61.52 2.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 65.23 110.902 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.414 ' CA ' ' HB3' ' A' ' 146' ' ' ARG . 6.9 m120 -37.73 -40.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.856 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 106' ' ' GLN . . . -41.14 -91.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 62.54 111.099 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.741 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.81 -23.3 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.15 111.134 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.414 ' HB3' ' CA ' ' A' ' 143' ' ' ASN . 3.4 ttt180 -39.65 -53.27 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.91 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.7 t -63.75 105.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 65.54 110.895 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -46.9 -28.13 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 71.5 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 94.9 m -47.86 -30.13 3.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 55.35 110.862 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.594 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 5.5 m-85 -57.61 -95.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.877 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 1.057 ' HA ' HD22 ' A' ' 154' ' ' LEU . . . -40.15 -37.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 71.41 111.127 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.401 ' O ' ' HG3' ' A' ' 155' ' ' GLU . 36.7 mtp -60.87 -70.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.85 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.13 -50.49 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 74.1 110.896 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.057 HD22 ' HA ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -47.15 -28.18 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 43.33 110.89 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.924 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -90.6 28.65 1.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.866 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -30.83 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 71.23 110.887 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -64.1 -176.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 75.11 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -64.15 159.56 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.1 110.911 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -163.09 135.86 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 74.35 110.87 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -100.83 -56.1 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 72.54 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 25.5 t60 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 72.1 110.868 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.797 0.332 . . . . 73.35 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -145.62 47.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 65.41 110.879 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -121.68 174.77 6.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 65.22 110.868 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -98.8 91.59 5.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.926 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -89.9 143.42 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 71.41 110.842 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 87.28 105.28 0.86 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.742 . . . . 54.03 112.503 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.44 141.66 35.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.391 . . . . 50.44 110.874 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 15.0 p30 -127.42 151.61 75.13 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.644 0.735 . . . . 71.53 110.855 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . 0.734 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.6 Cg_endo -69.72 -9.6 26.53 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 73.43 112.348 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -14.15 62.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 64.53 110.96 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 9.6 p -138.97 121.93 16.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 61.23 111.13 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.937 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.778 0.323 . . . . 73.22 110.851 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -110.58 -73.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 72.2 110.929 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -114.31 -22.69 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 75.15 110.927 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.11 -26.42 38.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 65.05 110.842 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -138.24 63.63 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.88 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -91.92 -164.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.21 110.896 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -48.34 -26.41 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.844 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -48.41 -58.45 4.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.955 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -52.64 -50.44 63.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 70.1 110.927 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.79 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 40.7 t80 -55.7 -70.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 65.35 110.871 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -47.63 -46.01 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.14 111.089 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.463 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.26 -47.23 69.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.061 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.522 HG21 ' O ' ' A' ' 28' ' ' ARG . 11.7 m -58.0 -54.56 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 72.42 111.116 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 68' ' ' ILE . 12.8 tp -55.86 -51.46 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.949 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.09 -54.09 17.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.909 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 t -56.98 -32.18 65.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 71.22 110.874 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.93 -61.19 2.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -55.67 -32.51 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.895 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -55.31 -23.17 22.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.915 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 25' ' ' SER . 31.3 mt -54.65 176.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 64.51 110.873 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 22' ' ' SER . 0.9 OUTLIER -93.71 34.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 34.52 110.926 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 1.2 p 85.69 32.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.873 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -112.97 -123.79 4.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.69 -0.767 . . . . 62.31 112.478 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.409 HD12 ' O ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -169.18 141.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 70.03 111.133 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.597 ' HB2' HD11 ' A' ' 20' ' ' LEU . 1.5 t -119.63 110.44 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.876 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.61 -51.98 53.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 53.24 112.497 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.6 t -48.61 -43.61 36.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 61.42 110.859 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' HG21 ' A' ' 13' ' ' THR . 9.3 mpt_? -54.64 -58.95 5.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 63.31 110.896 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.503 ' HA ' HD12 ' A' ' 32' ' ' LEU . 47.0 mt -50.03 -42.96 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 64.32 111.14 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.61 ' O ' HG22 ' A' ' 34' ' ' THR . 25.8 mtpt -56.3 -57.64 11.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 62.12 110.95 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -50.08 -50.54 47.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.911 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 29' ' ' ILE . 4.1 mt -56.05 -51.42 67.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.51 110.91 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.437 HG23 ' HA ' ' A' ' 72' ' ' ILE . 5.2 m -57.37 -71.68 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 70.33 111.166 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.3 t -43.8 -44.35 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 64.31 111.132 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.475 ' N ' HG23 ' A' ' 34' ' ' THR . 22.2 t80 -56.6 -57.63 11.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.919 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.613 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.77 -52.51 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 72.2 111.119 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HA ' HD11 ' A' ' 40' ' ' ILE . 3.7 mm? -57.6 -50.91 71.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.95 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -56.68 -28.64 61.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 62.25 110.876 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.626 ' CB ' HD11 ' A' ' 42' ' ' ILE . 75.0 m-70 -127.29 83.92 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.885 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 40' ' ' ILE . 19.2 mm -79.8 0.4 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 75.41 111.106 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -92.17 21.88 4.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.895 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.4 pt -148.3 27.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.144 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.696 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -57.72 -34.43 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 61.54 110.903 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -58.67 -72.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 61.5 110.885 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.3 -45.58 45.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.01 110.913 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.79 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 57.0 mt -57.07 -69.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 75.44 111.123 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.783 HD12 HD11 ' A' ' 101' ' ' LEU . 37.3 mm -49.33 -46.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 75.3 111.112 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 m -57.93 -43.48 86.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 75.31 110.872 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.523 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.6 tp -57.72 -66.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.505 . . . . 63.4 110.899 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.5 pt -45.46 -47.0 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.52 111.112 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.516 HD13 HG21 ' A' ' 104' ' ' VAL . 73.9 mt -55.51 -56.64 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 65.11 111.182 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.33 -46.84 79.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 65.32 110.851 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.752 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.6 t80 -53.53 -35.81 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.55 110.938 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 t -62.01 -74.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 74.24 110.883 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -24.61 58.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 73.52 110.864 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 53' ' ' TYR . 3.8 mt -42.96 -80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 64.35 110.911 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.692 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -88.97 170.59 10.65 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.716 . . . . 75.44 110.887 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.84 -159.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 75.34 112.28 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -30.46 -51.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.835 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 59' ' ' ASP . 58.5 m -32.62 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.52 110.848 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.692 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.5 m80 -59.61 -47.83 84.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 73.13 110.865 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.686 ' HZ2' ' HB3' ' A' ' 62' ' ' LYS . 2.3 mtmp? -31.8 -68.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.894 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.53 -51.78 65.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 70.54 110.925 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -50.45 -59.76 7.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 72.01 112.494 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -54.66 14.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 70.11 110.844 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.537 HD12 HG12 ' A' ' 124' ' ' ILE . 1.1 mt -43.33 -51.93 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 73.43 110.903 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -57.12 -50.11 73.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 14' ' ' LEU . 40.6 mt -57.24 -54.59 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 74.12 111.139 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.5 mt -55.81 -36.66 44.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 51.14 111.096 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -54.89 41.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.892 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.8 t -56.82 -59.44 5.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 72.51 110.877 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.437 ' HA ' HG23 ' A' ' 33' ' ' THR . 61.9 mt -53.62 -47.36 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 71.11 111.156 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.65 -56.81 18.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 71.51 112.457 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.415 HH12 HD13 ' B' 1012 ' ' LEU . 0.8 OUTLIER -50.2 -56.88 9.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 73.11 110.897 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.423 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -54.96 -50.87 67.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.094 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.658 ' O ' HG22 ' A' ' 80' ' ' THR . 2.4 m-30 -55.41 -47.1 76.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.893 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 136' ' ' LEU . 12.6 tp -53.44 -52.95 57.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 65.24 110.901 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.97 -43.38 77.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.839 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -56.05 -71.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 63.03 110.869 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.698 HG21 HD12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -53.99 -35.84 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 41.1 111.163 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -49.8 66.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 52.33 110.871 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -24.13 29.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 73.51 110.825 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -119.1 -165.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 71.44 110.847 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -87.48 105.02 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.872 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -59.12 -40.06 84.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 51.44 110.875 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.1 m -52.02 139.8 21.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 63.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.3 t -163.32 -75.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.875 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.0 p -177.51 -175.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 51.25 110.832 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.84 177.04 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 74.51 110.828 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? 62.82 161.07 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.609 0.719 . . . . 75.51 110.863 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.433 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 53.7 Cg_endo -69.77 162.61 41.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.667 2.245 . . . . 73.2 112.337 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.38 -42.2 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 73.02 112.461 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.503 HG22 HG22 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -152.76 -175.49 5.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.328 . . . . 74.41 111.157 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.6 p -45.31 -50.91 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 72.24 110.899 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.54 -66.77 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.135 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 40.8 m170 -52.24 -37.45 55.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.853 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.02 -58.69 6.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 63.14 111.104 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.698 HD12 HG21 ' A' ' 80' ' ' THR . 82.9 mt -53.39 -44.08 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.109 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -55.27 -50.81 68.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.893 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.0 m -56.24 -54.05 49.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.31 111.141 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.783 HD11 HD12 ' A' ' 47' ' ' ILE . 45.7 mt -51.13 -57.08 9.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.15 110.926 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.58 -15.52 25.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 64.44 112.467 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -91.68 -10.9 38.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 72.51 110.903 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.574 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.8 m -121.27 -15.51 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 74.44 111.168 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.833 HG13 HD12 ' A' ' 109' ' ' LEU . 3.4 tp -50.26 -29.79 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.31 111.116 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.4 110.917 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -56.44 -39.75 73.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 63.42 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.2 mt -56.83 -71.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 74.14 110.924 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.833 HD12 HG13 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -51.66 -64.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 34.03 110.938 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 109' ' ' LEU . 96.2 p -38.05 -62.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.45 110.851 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.45 -43.31 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 70.13 110.909 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.508 ' HA ' ' HD2' ' A' ' 62' ' ' LYS . . . -57.09 -60.04 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 60.51 111.073 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.678 HG22 ' CD1' ' A' ' 154' ' ' LEU . 0.9 OUTLIER -56.27 -40.09 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.4 111.162 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.66 -70.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 71.02 111.123 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HB3' ' CE ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -54.31 -47.93 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 72.42 110.923 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 89.6 p -49.08 141.04 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 54.35 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 121' ' ' LYS . 3.1 p30 -90.36 -173.86 3.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 65.44 110.917 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.624 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 4.7 mt-30 -43.49 -52.74 5.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.931 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.53 -67.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 52.32 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.476 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 12.0 m170 -47.88 -59.31 3.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.816 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.41 -39.15 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.907 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.47 -44.52 96.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.907 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -58.35 -50.18 74.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 71.43 110.851 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.537 HG12 HD12 ' A' ' 66' ' ' LEU . 37.0 mt -56.83 -49.19 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 70.31 111.109 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -54.22 27.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.909 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.3 ttm -55.47 -49.33 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.855 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.545 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 50.2 tp -52.28 -46.87 66.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.868 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.426 HD11 HG13 ' A' ' 145' ' ' ILE . 1.1 tt -56.25 -48.65 76.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.03 110.956 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -52.91 -49.28 66.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.866 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.06 -42.14 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.121 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.56 ' CG ' HD23 ' A' ' 136' ' ' LEU . 42.5 m0 -54.17 -58.37 7.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 73.4 110.919 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -55.75 -53.03 61.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 70.34 110.855 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -55.24 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.25 110.879 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.4 t -55.37 -75.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 63.3 110.898 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 151.76 121.98 0.97 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.736 -0.745 . . . . 41.44 112.514 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.56 HD23 ' CG ' ' A' ' 131' ' ' TRP . 4.4 tp -165.02 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 71.44 110.938 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.524 ' CE2' HD13 ' A' ' 105' ' ' ILE . 25.4 m-85 -105.93 178.11 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.834 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.56 ' HB2' HD12 ' A' ' 142' ' ' LEU . 3.8 mp0 -51.08 126.24 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 71.41 110.928 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -64.89 87.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.2 110.892 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 73.4 m 53.24 26.27 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.896 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.504 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.2 OUTLIER -98.49 23.02 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 73.11 110.916 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.811 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -126.64 125.92 42.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 74.32 110.91 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.448 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 8.9 m120 -55.92 -21.51 20.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.888 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -42.01 -96.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.33 111.087 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.602 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -66.89 -21.52 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.43 111.065 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.448 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 2.3 ttt180 -45.1 -51.54 10.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.835 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 81.8 p -60.67 98.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.886 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -46.54 -34.03 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 60.44 110.884 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 19.1 p -45.69 -30.91 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 75.42 110.881 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -55.5 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 72.42 110.849 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.494 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -48.12 -47.03 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 62.52 111.102 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 0.4 OUTLIER -51.08 -52.38 44.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 71.04 110.91 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -62.58 -66.97 0.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 74.34 110.877 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.678 ' CD1' HG22 ' A' ' 113' ' ' ILE . 1.3 pp -49.78 -29.45 7.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 72.32 110.917 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 152' ' ' MET . 0.3 OUTLIER -57.33 -174.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.902 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -157.85 176.48 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.854 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -52.11 108.33 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.835 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.04 172.85 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 65.01 110.862 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -129.47 153.48 47.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 60.01 110.835 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -137.97 157.98 45.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.84 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 74.03 110.903 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.8 0.333 . . . . 72.34 110.868 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.35 99.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 71.3 110.902 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 12.1 t70 -171.45 149.58 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.891 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.52 111.54 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 70.12 110.88 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -130.64 -178.73 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.875 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 105.26 124.29 5.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 71.25 112.531 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 46.8 t80 -155.88 118.89 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.91 0.386 . . . . 72.01 110.941 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -102.53 136.94 19.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 74.21 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -28.44 25.35 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.672 2.248 . . . . 71.2 112.342 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -9.39 58.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 73.24 110.886 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 8.5 p -129.17 131.22 47.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 64.54 111.141 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.415 HD13 HH12 ' A' ' 74' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.51 110.941 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.698 0.285 . . . . 71.42 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -140.46 38.24 1.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 70.14 110.919 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -127.16 -37.94 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.944 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -68.03 -24.13 65.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 65.51 110.88 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -112.96 29.88 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 71.23 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.48 -164.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.846 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -49.61 -27.07 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.859 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -50.1 -56.58 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.906 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -54.13 -50.27 67.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.894 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.73 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 38.7 t80 -55.49 -69.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 64.4 110.863 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -49.66 -44.33 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 62.42 111.151 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.92 -50.12 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.23 111.12 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.519 HG21 ' O ' ' A' ' 28' ' ' ARG . 94.7 m -57.15 -52.79 63.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.137 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD23 ' HG ' ' A' ' 49' ' ' LEU . 12.5 tp -56.6 -54.31 47.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 70.11 110.899 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -49.61 -60.72 2.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 74.02 110.892 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.2 t -55.25 -30.72 60.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.03 110.885 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 64.5 110.88 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -55.51 -36.13 66.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 62.31 110.93 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.52 -27.45 57.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.862 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.4 mt -63.5 143.46 57.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 44.04 110.911 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 61.26 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.914 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.67 46.25 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 54.33 110.888 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.22 -48.57 2.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 71.23 112.477 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.7 mt 58.14 77.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.793 0.33 . . . . 71.13 111.157 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.17 127.87 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 70.01 110.877 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.56 -36.39 64.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 70.21 112.496 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.82 -52.41 41.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 65.34 110.841 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.519 ' O ' HG21 ' A' ' 13' ' ' THR . 9.4 mpt_? -51.4 -60.23 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.931 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.548 ' HA ' HD12 ' A' ' 32' ' ' LEU . 65.0 mt -48.28 -44.5 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 63.3 111.14 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.658 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.95 -55.07 37.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 64.45 110.889 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -50.51 -48.69 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 62.33 110.919 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 29' ' ' ILE . 6.5 mt -56.99 -51.84 67.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 74.21 110.91 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.7 m -57.81 -71.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.161 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.3 t -41.5 -45.03 3.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 74.53 111.181 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' N ' HG23 ' A' ' 34' ' ' THR . 13.3 t80 -56.69 -57.16 13.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.946 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.3 -51.47 44.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 73.54 111.127 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.508 ' HA ' HD11 ' A' ' 40' ' ' ILE . 3.9 mm? -57.21 -49.58 75.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.911 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -57.1 -26.73 60.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 62.1 110.84 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.708 ' HB2' HD11 ' A' ' 42' ' ' ILE . 31.9 m170 -129.99 85.06 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.808 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.599 HG22 HG22 ' A' ' 93' ' ' THR . 33.4 mm -80.27 -1.01 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 64.12 111.172 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -90.96 21.94 3.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.861 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.708 HD11 ' HB2' ' A' ' 39' ' ' HIS . 1.9 pt -147.26 31.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 65.3 111.143 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.635 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -58.07 -35.55 71.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.892 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -58.68 -72.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 63.4 110.878 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.99 -47.56 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 70.23 110.903 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.73 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 89.3 mt -55.83 -69.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.1 111.104 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 101' ' ' LEU . 36.2 mm -47.98 -48.96 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.02 111.141 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.4 m -56.69 -42.47 79.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.873 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD23 ' CE2' ' A' ' 10' ' ' PHE . 14.7 tp -58.27 -66.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.534 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.6 pt -47.14 -44.31 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 65.23 111.084 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.409 HG12 HG21 ' A' ' 104' ' ' VAL . 44.7 mt -55.69 -59.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 72.03 111.082 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -58.55 -49.11 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.86 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.504 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -50.66 -41.86 55.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.934 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.478 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 60.6 p -62.53 -73.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 74.22 110.901 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.478 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -43.25 -33.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 70.43 110.887 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 53' ' ' TYR . 35.1 mt -61.17 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 65.25 110.956 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.568 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -50.09 141.72 14.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.627 0.727 . . . . 73.24 110.896 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -100.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 72.22 112.337 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.476 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 3.1 p-10 -69.84 -54.16 14.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 71.53 110.919 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -38.34 -49.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 65.24 110.9 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.568 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -55.58 -53.55 55.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.45 110.807 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.554 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 9.1 mtmm -35.88 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.874 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.569 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 10.0 tp -63.81 -58.34 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 72.33 110.962 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.7 -77.88 0.11 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 74.01 112.533 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' GLY . 0.7 OUTLIER -36.86 -51.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 50.33 110.84 -179.771 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 62' ' ' LYS . 7.8 mt -45.84 -57.33 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.908 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.569 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 12.1 m-30 -57.04 -42.21 80.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.99 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -55.93 -57.27 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 74.14 111.101 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.35 -34.56 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 61.45 111.116 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -57.64 11.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.893 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -56.72 -62.13 1.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 63.11 110.864 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.5 mt -51.94 -46.54 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 62.31 111.157 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -52.5 -57.41 13.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 72.42 112.447 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.482 HH12 HD12 ' B' 1012 ' ' LEU . 0.6 OUTLIER -51.78 -57.36 9.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 71.01 110.837 -179.832 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.98 -57.41 11.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 70.42 111.093 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.671 ' O ' HG22 ' A' ' 80' ' ' THR . 1.9 m-85 -50.33 -49.79 52.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.92 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 136' ' ' LEU . 0.1 OUTLIER -51.39 -59.97 3.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 64.52 110.925 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -41.93 63.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 72.03 110.871 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.459 ' HG3' HD12 ' A' ' 37' ' ' LEU . 24.9 mm-40 -56.69 -75.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 64.5 110.852 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 76' ' ' TYR . 1.2 t -51.55 -35.12 39.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 70.44 111.177 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -55.19 -52.17 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.876 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -55.89 -35.59 66.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.86 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.65 159.58 2.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.873 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 m 64.36 96.35 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.872 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -154.66 145.33 22.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 70.4 110.875 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.46 174.75 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 61.32 110.897 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -130.33 30.75 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 70.22 110.882 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.2 p -61.86 -171.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 62.52 110.898 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -93.45 156.6 16.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 43.52 110.864 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.3 160.93 0.12 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 54.35 110.888 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 174.55 9.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 54.02 112.35 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 176.81 -46.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 41.54 112.487 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.599 HG22 HG22 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -158.96 -173.86 4.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 71.04 111.089 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.467 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 68.9 m -45.66 -40.68 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.877 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -43.27 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 60.04 111.089 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -52.83 -35.36 57.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 72.0 110.816 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.16 -57.99 9.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 74.32 111.104 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.538 ' CD1' HG21 ' A' ' 80' ' ' THR . 5.4 mt -56.29 -47.34 81.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.3 111.156 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -56.58 -55.43 33.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.2 110.899 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.1 m -51.39 -53.28 38.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 42.1 111.156 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.59 HD11 HD12 ' A' ' 47' ' ' ILE . 47.3 mt -51.01 -56.55 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.905 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.71 -15.56 26.94 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.69 -0.767 . . . . 72.44 112.49 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.582 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -86.78 -12.29 48.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 73.44 110.849 -179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.582 HG13 ' HG2' ' A' ' 103' ' ' GLU . 2.8 m -122.13 -18.94 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 65.42 111.146 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.834 HG13 HD12 ' A' ' 109' ' ' LEU . 4.0 tp -49.95 -29.73 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.522 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.35 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.909 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -56.02 -38.9 71.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.894 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.459 HD22 ' OG ' ' A' ' 54' ' ' SER . 34.9 mt -56.24 -71.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.834 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -51.95 -63.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 71.21 110.91 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 109' ' ' LEU . 83.8 p -36.61 -62.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 71.12 110.835 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.96 -49.46 50.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 72.44 110.895 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.533 ' HA ' ' HD2' ' A' ' 62' ' ' LYS . . . -55.63 -55.83 27.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 55.21 111.129 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.723 HG22 ' CD1' ' A' ' 154' ' ' LEU . 2.5 mt -55.6 -44.09 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 64.05 111.167 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.33 -68.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 43.53 111.092 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -55.71 -50.58 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 75.2 110.874 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.543 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 82.6 p -45.85 139.4 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.24 110.834 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -89.58 -168.68 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.877 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.562 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 8.1 tp-100 -46.98 -54.45 10.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.93 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.77 -64.25 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 70.24 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.543 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 26.7 m170 -48.92 -60.1 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.849 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -49.03 -34.63 13.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 62.21 110.915 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.71 -53.76 54.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 61.41 110.874 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -53.59 -43.5 68.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.886 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.6 HG21 HG12 ' A' ' 113' ' ' ILE . 28.4 mt -61.68 -45.1 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 65.14 111.164 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -55.5 -59.11 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.87 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 127' ' ' LEU . 22.3 ptm -52.98 -45.18 67.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 72.12 110.889 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' B' 1009 ' ' PRO . 18.0 tp -54.35 -47.55 72.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 53.55 110.918 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.595 HD21 HG13 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.75 -49.29 75.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.882 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -50.21 -51.89 40.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 53.0 110.867 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 53.4 mt -57.01 -42.21 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.11 111.136 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.622 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 14.2 m0 -54.74 -55.42 30.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.25 110.941 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -54.86 -49.03 72.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.887 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -54.67 -70.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 70.43 110.872 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 43.7 t -57.07 -71.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.846 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 116.8 103.41 2.31 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 65.13 112.508 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.587 ' C ' HD23 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -144.23 13.86 1.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.869 0.366 . . . . 71.3 110.92 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.601 ' HZ ' HD13 ' A' ' 105' ' ' ILE . 2.3 m-85 -135.94 -76.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 72.43 110.83 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -133.47 148.32 51.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 64.44 110.887 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -70.25 -10.12 57.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 75.35 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 34.7 m -113.32 -79.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.815 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.612 ' C ' HD13 ' A' ' 142' ' ' LEU . 0.2 OUTLIER 176.25 -171.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.924 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.839 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -137.18 125.3 22.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 60.13 110.909 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 10.5 t-20 -54.29 -22.95 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 74.02 110.937 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -41.31 -95.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.1 111.106 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.811 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.74 -23.22 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.03 111.091 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.424 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 1.9 ttt180 -43.0 -51.6 5.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 63.03 110.872 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 t -54.09 100.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.45 110.849 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -45.86 -29.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 53.54 110.905 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 88.7 m -46.77 -33.18 4.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.868 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -54.69 -85.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 73.25 110.887 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.483 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -48.11 -55.88 9.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 53.43 111.117 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 153' ' ' ASP . 3.2 ptm -43.41 -44.57 5.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.32 110.851 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.428 ' N ' ' CG ' ' A' ' 152' ' ' MET . 12.0 t70 -71.1 -70.91 0.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.841 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.723 ' CD1' HG22 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -47.15 -31.68 3.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.906 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 151' ' ' ALA . 4.3 pt-20 -83.04 -31.79 27.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 73.43 110.854 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.6 109.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.54 110.847 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -147.2 -168.25 3.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 73.04 110.806 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -50.31 144.86 6.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.32 110.842 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -51.52 161.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.25 110.83 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -141.84 -169.55 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 62.34 110.863 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 45.2 110.901 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 73.41 110.861 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -99.64 -177.4 3.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 63.12 110.893 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 7.2 m-20 62.51 176.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 72.34 110.907 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -84.37 84.01 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 72.12 110.88 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.22 82.22 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 71.23 110.888 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 170.04 36.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 51.45 112.444 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.73 116.93 2.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 74.13 110.914 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -97.6 137.31 21.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 64.25 110.857 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . 0.431 ' HG3' HD13 ' A' ' 127' ' ' LEU . 54.1 Cg_endo -69.76 -23.24 31.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.691 2.261 . . . . 75.45 112.347 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -16.86 61.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 61.2 110.906 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 19.1 p -137.19 116.3 12.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 75.34 111.193 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.482 HD12 HH12 ' A' ' 74' ' ' ARG . 6.7 tt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 64.44 110.891 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.76 0.314 . . . . 63.21 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -124.45 177.31 5.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.924 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -61.84 -18.0 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 53.01 110.921 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -58.46 -21.73 52.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.881 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -140.18 71.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.842 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.14 -163.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.829 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -48.01 -26.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 62.33 110.857 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -50.59 -57.47 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.96 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -52.96 -51.99 59.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 60.33 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.735 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 45.6 t80 -55.25 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.907 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.84 -44.51 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 74.3 111.139 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -53.36 -49.52 66.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 51.31 111.074 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.598 HG21 ' O ' ' A' ' 28' ' ' ARG . 57.0 m -57.24 -53.84 53.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 62.03 111.141 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.7 tp -55.7 -53.63 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.903 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -50.07 -56.58 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 t -55.97 -30.95 62.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 72.22 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.501 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -57.59 -61.92 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 72.3 110.863 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -56.52 -36.59 69.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 45.34 110.916 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -56.38 -24.58 45.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.842 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.0 mt -69.23 141.26 54.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.914 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.75 62.27 1.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 72.43 110.883 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t 65.02 50.63 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.879 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.68 -52.58 1.03 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 61.42 112.435 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.501 HG23 ' CZ ' ' A' ' 17' ' ' PHE . 4.8 mt 59.42 81.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 72.43 111.133 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.68 131.92 36.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 53.02 110.836 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.82 -34.39 61.17 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 61.11 112.447 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.41 -54.11 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 54.55 110.856 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.598 ' O ' HG21 ' A' ' 13' ' ' THR . 8.8 mpt_? -50.15 -57.91 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 70.34 110.884 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.546 ' HA ' HD12 ' A' ' 32' ' ' LEU . 69.2 mt -49.81 -42.96 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.15 111.163 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 34' ' ' THR . 6.1 mmtp -56.26 -56.47 20.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 72.34 110.886 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -49.99 -48.37 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 64.54 110.946 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 29' ' ' ILE . 7.2 mt -57.69 -51.26 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.903 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.449 HG23 ' HA ' ' A' ' 72' ' ' ILE . 6.2 m -57.78 -71.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 25.44 111.123 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 30' ' ' LYS . 7.1 t -42.53 -45.78 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.45 111.155 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.468 ' N ' HG23 ' A' ' 34' ' ' THR . 20.9 t80 -58.23 -54.9 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.924 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.708 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -47.58 -57.67 5.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 75.31 111.081 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.705 HD11 ' CB ' ' A' ' 75' ' ' ALA . 2.3 mp -57.14 -48.31 79.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 70.2 110.889 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -56.27 -27.15 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 62.23 110.909 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CB ' HD11 ' A' ' 42' ' ' ILE . 87.4 m-70 -129.5 84.1 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.886 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.593 HG22 HG22 ' A' ' 93' ' ' THR . 18.3 mm -78.68 -0.71 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 52.4 111.134 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -90.62 19.72 5.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 64.22 110.897 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.604 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.7 pt -147.36 28.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 75.22 111.113 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.664 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.3 pm0 -57.54 -36.29 71.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 65.1 110.867 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.1 t -58.51 -73.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.866 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.511 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.96 -46.52 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.833 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.735 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 70.4 mt -56.33 -71.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 74.21 111.153 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.76 HD12 HD11 ' A' ' 101' ' ' LEU . 40.3 mm -47.53 -47.38 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 75.05 111.097 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 m -57.82 -42.82 85.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 65.3 110.872 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 10' ' ' PHE . 16.1 tp -57.68 -67.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 71.04 110.96 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.58 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.1 pt -45.12 -46.23 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.114 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.0 mt -57.01 -57.14 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.25 111.149 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -47.86 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 55.53 110.892 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.752 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -54.93 -35.34 64.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.94 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.4 t -63.6 -74.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 42.51 110.84 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.73 -25.78 42.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 61.42 110.859 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 53' ' ' TYR . 3.8 mt -42.72 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.874 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.689 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -93.31 170.24 8.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.716 . . . . 55.01 110.86 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.6 Cg_endo -69.7 -158.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 70.51 112.342 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -30.86 -52.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.87 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 59' ' ' ASP . 64.2 m -32.53 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 75.41 110.831 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.689 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.9 m80 -61.58 -37.81 85.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 75.01 110.832 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -46.02 -60.28 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.23 110.878 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.478 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 12.8 tp -58.89 -58.95 6.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 54.54 110.926 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.17 -60.7 5.96 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 50.34 112.483 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.7 p -48.08 -48.17 33.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 64.45 110.832 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.6 mt -48.04 -53.19 17.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.955 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.478 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 12.9 m-85 -55.4 -47.11 76.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.05 110.895 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.5 ' HA ' HG23 ' A' ' 29' ' ' ILE . 59.8 mt -56.21 -50.25 71.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 74.53 111.182 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.2 mt -57.46 -39.0 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.155 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.91 -55.22 35.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 75.22 110.871 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.1 p -55.75 -57.46 11.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 44.33 110.895 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.449 ' HA ' HG23 ' A' ' 33' ' ' THR . 72.7 mt -55.2 -43.78 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 72.03 111.109 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.08 -58.24 14.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 70.3 112.525 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.458 ' NH1' HD13 ' B' 1012 ' ' LEU . 2.0 mtm105 -51.61 -55.59 18.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 71.45 110.868 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.705 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -55.36 -58.06 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 51.33 111.072 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.715 ' O ' HG22 ' A' ' 80' ' ' THR . 2.7 m-30 -51.19 -45.81 61.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 62.53 110.899 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.852 HD22 ' HA ' ' A' ' 136' ' ' LEU . 7.1 tp -52.08 -56.29 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 65.34 110.967 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -43.96 73.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 63.05 110.836 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG3' HD23 ' A' ' 37' ' ' LEU . 7.4 mm-40 -55.46 -73.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.899 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -52.59 -35.99 55.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 52.13 111.133 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -52.75 -51.3 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 50.45 110.913 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.6 m -55.38 -24.75 31.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.03 110.889 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -115.81 -166.04 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.9 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t -87.65 100.07 12.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.865 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -55.68 100.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 75.55 110.915 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -73.96 85.91 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 61.25 110.821 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.2 t -100.37 122.29 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 50.52 110.823 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -154.74 -74.41 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 73.44 110.88 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -175.05 151.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 71.12 110.893 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 63.27 160.58 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 73.51 110.904 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.0 Cg_endo -69.73 167.52 24.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 74.0 112.336 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.553 ' O ' HG23 ' A' ' 93' ' ' THR . . . 175.09 -36.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 53.31 112.462 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.593 HG22 HG22 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -170.93 -174.01 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 72.04 111.146 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -42.34 -51.84 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 71.02 110.873 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -51.43 -61.48 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 71.11 111.109 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 54.6 m80 -53.66 -42.92 68.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.02 110.849 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -51.12 -59.12 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.142 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.696 HD12 HG21 ' A' ' 80' ' ' THR . 76.4 mt -55.11 -46.28 77.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 64.11 111.116 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -55.3 -52.14 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 62.4 110.887 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.5 m -55.19 -53.33 57.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 63.43 111.161 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.76 HD11 HD12 ' A' ' 47' ' ' ILE . 56.5 mt -52.57 -55.99 18.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.915 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.49 -15.68 25.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 73.11 112.507 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.582 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -89.82 -9.36 49.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 61.04 110.909 -179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.582 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.4 m -124.12 -16.5 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.21 111.104 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.797 HG13 HD12 ' A' ' 109' ' ' LEU . 4.2 tp -50.09 -29.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.431 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -53.68 -71.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.938 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -55.61 -39.03 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 53.05 110.94 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.77 -64.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.909 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.797 HD12 HG13 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -53.84 -69.86 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.925 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.3 p -36.55 -59.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -52.49 -50.71 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 70.51 110.885 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.37 -55.59 29.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.142 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.663 HG12 HG21 ' A' ' 124' ' ' ILE . 7.4 mt -54.53 -49.72 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 70.13 111.098 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.53 -67.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 70.02 111.115 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -49.59 -45.56 48.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 54.24 110.881 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.403 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 5.4 m -55.83 154.19 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 54.03 110.868 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -96.41 -171.39 2.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.898 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.641 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 4.5 tp-100 -46.91 -51.98 15.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.899 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.53 -67.42 0.42 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 116' ' ' SER . 11.9 m170 -47.81 -59.6 3.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.876 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.96 -38.32 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 63.13 110.859 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.1 OUTLIER -60.99 -44.98 96.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 64.4 110.903 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -57.79 -49.2 77.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.25 110.893 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.663 HG21 HG12 ' A' ' 113' ' ' ILE . 60.7 mt -57.34 -50.02 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 73.32 111.172 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -49.57 -52.16 32.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 75.51 110.869 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.94 -51.83 66.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 65.45 110.901 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.627 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 29.3 tp -52.47 -42.77 64.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.921 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.657 HD11 HG21 ' A' ' 145' ' ' ILE . 0.4 OUTLIER -56.55 -48.96 76.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.902 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -53.99 -53.06 58.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 61.23 110.844 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.8 mt -55.5 -42.56 68.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.03 111.155 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.627 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 30.1 m0 -55.97 -54.06 49.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 65.31 110.918 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.48 -51.99 60.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 63.24 110.853 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -55.96 -71.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 64.52 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.1 t -57.78 -77.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 54.51 110.867 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 113.12 96.69 2.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 63.24 112.45 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.852 ' HA ' HD22 ' A' ' 77' ' ' LEU . 2.1 pt? -119.27 -22.7 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 63.35 110.881 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -122.18 -74.62 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 62.23 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -103.04 112.03 24.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 53.45 110.909 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.424 ' NZ ' HD21 ' A' ' 77' ' ' LEU . 4.4 mmtt -55.16 -25.58 33.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 63.12 110.92 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.7 m -113.12 -77.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 61.1 110.885 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 173.04 172.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 75.12 110.884 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.815 HD13 ' HB3' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -135.44 156.63 48.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 71.42 110.924 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 3.1 p-10 -55.77 -25.72 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 61.55 110.873 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.815 ' HB3' HD13 ' A' ' 142' ' ' LEU . . . -38.08 -96.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 63.22 111.136 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.657 HG21 HD11 ' A' ' 128' ' ' LEU . 0.0 OUTLIER -69.32 -20.84 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 54.14 111.132 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.481 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 2.8 ttt180 -40.61 -51.71 2.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.879 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 t -65.2 90.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 64.55 110.833 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -42.04 -27.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 62.32 110.889 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 5.3 t -46.07 -28.46 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 64.42 110.857 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.714 ' CE1' ' HB2' ' A' ' 151' ' ' ALA . 10.0 p90 -55.63 -60.87 2.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.42 110.913 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.714 ' HB2' ' CE1' ' A' ' 150' ' ' PHE . . . -67.87 -51.21 50.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 32.53 111.104 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.409 ' HA ' ' HG2' ' A' ' 155' ' ' GLU . 9.8 mmt -45.79 -39.63 8.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 63.43 110.853 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -71.93 -69.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 75.31 110.926 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 150' ' ' PHE . 1.1 pp -50.89 -31.68 18.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 52.42 110.925 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' A' ' 152' ' ' MET . 13.1 pt-20 -80.85 -179.46 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.889 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -111.51 179.08 4.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.82 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -51.17 148.09 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 71.15 110.848 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -119.54 175.3 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.848 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -85.28 -174.39 5.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 64.14 110.814 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -88.43 157.22 18.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.25 110.862 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 58.2 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.847 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.751 0.31 . . . . 73.34 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 18.0 t0 -76.56 -63.16 1.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 61.44 110.856 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 18.9 p30 -55.5 158.25 3.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 61.01 110.827 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.72 125.19 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 70.22 110.873 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -117.87 -179.38 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 64.32 110.844 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 71.92 92.33 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 32.22 112.498 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 24.3 t80 -83.32 111.46 19.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 72.51 110.9 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -89.52 110.37 38.55 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.671 0.748 . . . . 71.24 110.917 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -21.55 33.4 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.706 2.271 . . . . 72.44 112.337 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -16.71 64.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.946 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 8.9 p -144.56 176.71 9.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 63.54 111.126 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . 0.458 HD13 ' NH1' ' A' ' 74' ' ' ARG . 1.3 pt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.933 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptt? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.759 0.314 . . . . 65.11 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -174.75 -174.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 50.11 110.91 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -51.99 139.82 21.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 62.41 110.902 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.23 177.37 1.46 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.861 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -116.45 28.99 8.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.846 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.874 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -49.53 -28.29 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.3 110.865 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -49.78 -56.86 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 62.35 110.892 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.17 -50.34 64.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 70.32 110.886 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.77 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 33.8 t80 -56.09 -70.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.834 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -47.78 -45.28 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 71.21 111.134 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.28 -48.39 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 65.41 111.111 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 28' ' ' ARG . 22.7 m -57.86 -52.86 63.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 71.31 111.145 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' HG ' ' CD2' ' A' ' 53' ' ' TYR . 11.4 tp -56.14 -55.96 26.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.972 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -49.67 -60.79 2.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 61.34 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 t -55.04 -30.31 59.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.867 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.916 ' O ' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -54.28 -67.83 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.915 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -55.32 -35.07 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.871 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -59.0 -14.57 9.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.902 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -74.27 174.0 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 62.42 110.927 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.07 -17.77 9.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.904 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.599 ' HG ' ' N ' ' B' 1001 ' ' ASP . 4.3 m -70.5 -25.7 63.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 73.54 110.87 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.414 ' H ' ' HG ' ' A' ' 20' ' ' LEU . . . 87.96 -15.95 53.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 64.52 112.527 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.623 HD11 ' HG ' ' A' ' 63' ' ' LEU . 33.2 mm -148.98 146.1 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 70.05 111.068 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.37 107.75 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 72.2 110.872 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.02 -51.7 52.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 71.13 112.532 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.66 -52.47 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 74.53 110.833 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 13' ' ' THR . 10.4 mpt_? -53.34 -59.12 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 74.14 110.871 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 32' ' ' LEU . 63.3 mt -49.13 -43.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 51.15 111.132 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.633 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -55.45 -57.79 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 74.05 110.927 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -50.59 -48.42 57.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 74.12 110.89 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD23 ' CD1' ' A' ' 10' ' ' PHE . 4.5 mt -58.04 -52.6 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.924 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 72' ' ' ILE . 3.1 m -57.05 -70.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 71.22 111.148 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 30' ' ' LYS . 10.3 t -43.21 -44.28 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 54.12 111.102 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.467 ' N ' HG23 ' A' ' 34' ' ' THR . 13.9 t80 -58.07 -56.42 22.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.888 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.66 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -49.09 -57.98 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 42.23 111.072 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.711 HD11 ' CB ' ' A' ' 75' ' ' ALA . 1.9 mp -57.69 -46.9 83.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 72.15 110.959 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.46 -28.66 60.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 55.32 110.878 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.636 ' CB ' HD11 ' A' ' 42' ' ' ILE . 34.6 m170 -129.35 83.91 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.12 110.879 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.605 HG22 HG22 ' A' ' 93' ' ' THR . 14.6 mm -77.04 -3.04 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 70.5 111.14 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -89.09 23.85 2.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 63.11 110.887 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.636 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.5 pt -152.8 29.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.45 111.151 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.679 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.9 OUTLIER -57.79 -35.49 70.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 75.15 110.896 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -58.73 -73.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 65.52 110.84 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.577 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.73 -46.17 29.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.926 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.77 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 80.5 mt -56.18 -70.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 74.52 111.156 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.681 HD12 HD11 ' A' ' 101' ' ' LEU . 38.5 mm -47.3 -48.16 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.117 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -57.35 -42.63 82.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.87 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.5 tp -57.91 -67.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.5 110.939 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.2 pt -46.5 -45.09 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 74.24 111.107 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.9 mt -56.14 -59.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 75.24 111.181 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -57.13 -50.4 72.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 71.4 110.899 179.827 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.792 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -51.42 -36.78 45.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 64.32 110.913 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.582 ' OG ' ' N ' ' A' ' 55' ' ' ARG . 9.0 p -63.83 -73.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 52.33 110.852 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.582 ' N ' ' OG ' ' A' ' 54' ' ' SER . 8.6 ptt85 -43.56 -33.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.877 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 53' ' ' TYR . 39.8 mt -60.66 -82.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.912 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 58.3 m -50.76 141.15 18.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.608 0.718 . . . . 72.43 110.885 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -100.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.757 2.304 . . . . 73.54 112.32 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' HA ' ' HG3' ' A' ' 62' ' ' LYS . 3.3 p-10 -68.56 -51.58 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 75.15 110.85 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 t -40.01 -48.95 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.876 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.601 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.93 -48.94 79.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.11 110.822 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.49 ' CD ' ' HA ' ' A' ' 112' ' ' ALA . 7.6 mtmp? -39.01 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 74.31 110.909 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 24' ' ' ILE . 9.8 tp -64.82 -50.16 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.88 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.456 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -54.61 -77.15 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.773 -0.727 . . . . 75.35 112.494 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.8 p -38.98 -52.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 70.54 110.836 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.56 HD21 ' HG ' ' A' ' 109' ' ' LEU . 13.1 mt -46.97 -53.01 13.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.14 110.924 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -57.17 -45.85 83.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.968 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.39 -55.19 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 73.32 111.108 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.5 mt -56.55 -36.64 48.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.131 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.495 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -58.0 -56.5 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.835 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -55.98 -62.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.35 110.836 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.405 ' HA ' HG23 ' A' ' 33' ' ' THR . 64.3 mt -52.57 -45.82 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 71.34 111.155 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.471 ' C ' HD13 ' A' ' 136' ' ' LEU . . . -52.91 -60.31 8.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 73.33 112.487 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.68 -54.84 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 72.5 110.891 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.711 ' CB ' HD11 ' A' ' 37' ' ' LEU . . . -54.48 -61.81 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 64.34 111.109 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.66 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.3 m-30 -49.56 -43.58 46.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.34 110.902 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 77' ' ' LEU . 2.2 tm? -54.62 -59.62 4.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.922 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -40.35 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.05 110.918 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.612 ' CD ' HD23 ' A' ' 37' ' ' LEU . 3.8 mm-40 -56.03 -73.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.912 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -55.04 -37.93 67.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 64.43 111.183 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -55.5 -40.89 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 52.14 110.884 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -50.53 -60.19 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 43.04 110.898 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -90.02 -76.23 0.43 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.871 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.9 t -172.83 177.67 2.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 63.04 110.856 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -126.72 127.0 44.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 70.22 110.906 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m -114.86 173.41 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 71.41 110.87 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.1 t -177.07 152.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 63.34 110.85 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.4 m -159.65 55.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.504 . . . . 75.45 110.84 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 m120 53.86 27.31 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 72.12 110.917 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -165.91 160.62 13.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.703 . . . . 62.42 110.925 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 171.27 14.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 72.41 112.338 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.33 -46.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 34.32 112.472 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.605 HG22 HG22 ' A' ' 40' ' ' ILE . 0.8 OUTLIER -156.05 -176.1 5.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 74.43 111.095 -179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.551 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.7 p -45.05 -44.9 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 53.02 110.871 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.29 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.12 111.088 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -51.43 -35.11 37.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 61.43 110.884 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.05 -58.55 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 61.54 111.094 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 76' ' ' TYR . 4.5 mt -55.99 -46.06 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 73.14 111.127 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -56.28 -51.12 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 65.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.4 m -55.19 -52.05 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.145 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.681 HD11 HD12 ' A' ' 47' ' ' ILE . 47.8 mt -52.25 -56.26 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 53.14 110.954 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.46 -16.11 27.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 52.55 112.444 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.549 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -86.61 -12.85 47.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 63.01 110.901 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.549 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.0 m -120.94 -17.89 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.34 111.126 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.784 HG13 HD12 ' A' ' 109' ' ' LEU . 3.0 tp -48.88 -30.07 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.51 111.169 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.52 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -49.09 -71.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 72.22 110.935 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.61 -39.59 70.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.901 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.566 HD22 ' OG ' ' A' ' 54' ' ' SER . 41.7 mt -55.63 -72.27 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.915 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.784 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -51.22 -64.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.15 110.922 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 109' ' ' LEU . 80.3 p -37.27 -62.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.87 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -48.87 -49.42 39.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 65.2 110.849 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.49 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -56.07 -58.25 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.108 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.738 HG22 ' CD1' ' A' ' 154' ' ' LEU . 3.5 mt -52.41 -48.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 61.32 111.137 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.06 -69.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.12 111.107 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HE3' ' HE2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -55.79 -23.97 33.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 65.42 110.903 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.419 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 3.5 m -74.54 147.6 41.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.886 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.515 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -97.38 -171.81 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.87 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.568 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 1.6 pp0? -45.01 -52.65 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.956 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -62.92 -63.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.88 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.515 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 43.4 m170 -49.32 -61.23 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 72.51 110.878 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -48.11 -34.82 10.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 63.24 110.891 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -56.49 20.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.875 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -52.27 -48.96 64.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 62.14 110.885 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.451 HG21 HG12 ' A' ' 113' ' ' ILE . 52.0 mt -55.91 -50.75 67.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.126 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -50.02 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.855 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 tpp -55.8 -52.29 64.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.904 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 70' ' ' ASP . 25.9 tp -50.57 -46.11 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.917 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.595 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.3 -49.81 73.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 63.31 110.909 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -50.7 -50.63 54.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 70.32 110.851 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.6 mt -57.76 -43.99 85.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 65.04 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.631 ' HZ3' HD11 ' A' ' 109' ' ' LEU . 9.8 m0 -52.18 -57.71 8.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 53.31 110.935 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.52 -47.89 75.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.851 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -55.15 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 65.04 110.879 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.6 t -55.64 -74.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 65.34 110.878 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 142.34 117.6 1.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 55.21 112.502 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 73' ' ' GLY . 7.7 tp -145.17 -74.5 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.87 0.367 . . . . 74.23 110.889 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -73.15 -167.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.886 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -43.87 137.22 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 75.2 110.912 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -27.43 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.916 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.0 m -81.97 -80.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.906 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.579 ' C ' HD13 ' A' ' 142' ' ' LEU . 0.2 OUTLIER 176.86 -173.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 74.03 110.883 -179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.86 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -134.55 121.38 20.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 72.43 110.923 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.443 ' O ' ' O ' ' A' ' 144' ' ' ALA . 2.4 p-10 -51.98 -23.74 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 53.25 110.92 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.52 ' HB1' ' HA ' ' A' ' 106' ' ' GLN . . . -40.5 -96.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.03 111.124 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.763 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.8 -21.3 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 63.44 111.143 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.418 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 1.9 ttt180 -44.79 -49.33 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.9 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.5 t -58.57 96.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 72.24 110.86 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -46.77 -28.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.914 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 36.7 t -47.04 -33.41 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.53 110.908 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -56.67 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 64.12 110.874 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.461 ' HA ' HD11 ' A' ' 154' ' ' LEU . . . -45.34 -49.37 12.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 32.33 111.074 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.444 ' CG ' ' N ' ' A' ' 153' ' ' ASP . 1.6 ptm -52.83 -46.88 67.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 72.3 110.874 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.444 ' N ' ' CG ' ' A' ' 152' ' ' MET . 33.5 t70 -65.98 -68.36 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.865 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.738 ' CD1' HG22 ' A' ' 113' ' ' ILE . 0.7 OUTLIER -49.71 -31.19 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 71.23 110.895 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.72 100.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 61.11 110.888 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -57.48 178.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 61.42 110.89 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -52.47 125.45 16.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 72.35 110.863 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -154.14 -179.73 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 71.43 110.887 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -69.56 148.93 48.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 75.55 110.838 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.23 -177.7 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.887 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 72.3 110.869 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . 0.599 ' N ' ' HG ' ' A' ' 22' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 73.12 110.855 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 4.6 t70 -164.66 -40.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.883 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -58.79 -176.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 73.31 110.881 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -52.14 -44.64 64.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.855 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 76.6 m-20 52.9 30.7 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 44.44 110.862 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . -115.82 102.61 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 72.31 112.481 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 21.2 t80 -138.38 110.77 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 73.32 110.943 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -93.15 137.37 23.68 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.644 0.735 . . . . 72.41 110.863 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . 0.414 ' HB3' HD13 ' A' ' 127' ' ' LEU . 53.5 Cg_endo -69.8 -20.97 33.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 75.21 112.334 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.65 -15.09 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.907 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 10.8 p -127.35 119.96 27.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 75.2 111.197 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 71.53 110.954 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 tpt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.714 0.292 . . . . 75.45 110.915 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 58.72 25.6 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 75.34 110.914 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -125.2 -40.75 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.943 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -52.59 148.5 7.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.884 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.4 t70 65.13 57.86 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 53.1 110.834 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.51 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.8 OUTLIER -96.35 -159.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 73.44 110.88 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' CE2' HG23 ' A' ' 11' ' ' VAL . 1.6 t80 -57.79 -14.86 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.921 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.45 -69.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 70.35 110.962 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 6' ' ' ASP . 8.1 p30 -53.3 -46.56 69.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.897 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 52.3 t80 -53.99 -70.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 62.44 110.872 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.443 HG23 ' CE2' ' A' ' 7' ' ' PHE . 1.2 t -52.64 -42.74 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 71.51 111.153 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.34 -47.59 72.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 64.21 111.124 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.734 HG23 ' HD3' ' A' ' 28' ' ' ARG . 26.7 m -58.13 -53.45 58.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 64.23 111.158 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.576 ' CD1' HD13 ' A' ' 68' ' ' ILE . 18.9 tp -55.04 -51.59 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 52.03 110.889 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.72 -55.01 18.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 51.42 110.864 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 t -57.97 -30.35 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 61.14 110.829 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.669 ' CD2' HD11 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -55.88 -62.16 1.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 75.54 110.941 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -57.55 -37.59 73.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 75.35 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -55.46 -25.26 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 65.22 110.865 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 17' ' ' PHE . 20.7 mt -54.56 176.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 72.21 110.873 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.62 -24.15 22.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 72.05 110.869 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 t -114.39 -49.63 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 72.14 110.852 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.594 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 114.34 24.02 4.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.778 -0.725 . . . . 64.45 112.464 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.602 HD11 ' HG ' ' A' ' 63' ' ' LEU . 24.6 mm -138.75 140.07 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 75.14 111.106 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -171.02 117.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.816 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.7 -53.43 41.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 44.45 112.496 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 t -47.14 -55.59 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 54.21 110.811 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.734 ' HD3' HG23 ' A' ' 13' ' ' THR . 10.8 mmp_? -54.27 -61.58 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 64.23 110.893 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.5 mt -47.96 -44.05 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 72.14 111.106 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.636 ' O ' HG22 ' A' ' 34' ' ' THR . 17.9 mttp -55.6 -53.03 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.866 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -52.58 -48.4 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.909 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD23 ' CD1' ' A' ' 10' ' ' PHE . 6.8 mt -58.4 -50.66 72.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 75.53 110.921 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 72' ' ' ILE . 4.7 m -57.32 -71.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 64.22 111.105 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.0 t -41.6 -45.27 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 71.12 111.152 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.466 ' N ' HG23 ' A' ' 34' ' ' THR . 17.2 t80 -58.17 -56.57 20.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 74.42 110.905 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.693 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -48.11 -57.6 5.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 55.33 111.126 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.825 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.5 mp -57.36 -48.69 78.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 70.14 110.918 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -56.4 -24.5 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 53.14 110.898 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CB ' HD11 ' A' ' 42' ' ' ILE . 25.7 m-70 -132.09 83.96 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 44.13 110.84 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.689 ' CG2' HG22 ' A' ' 93' ' ' THR . 14.6 mm -78.09 -2.14 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 70.02 111.114 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -88.63 22.74 2.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.851 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.607 HD11 ' CB ' ' A' ' 39' ' ' HIS . 1.3 pt -149.84 27.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.32 111.171 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.3 pm0 -55.9 -35.39 66.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 70.43 110.842 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -73.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 54.22 110.798 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -48.9 -45.4 41.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.882 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.607 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 79.2 mt -54.52 -73.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 73.34 111.135 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.835 HD12 HD11 ' A' ' 101' ' ' LEU . 42.9 mm -48.0 -46.68 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.089 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 m -56.53 -44.24 80.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.817 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.436 HD23 ' CE2' ' A' ' 10' ' ' PHE . 20.5 tp -57.54 -66.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 71.43 110.914 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' A' ' 47' ' ' ILE . 7.9 pt -47.9 -45.16 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.113 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 104' ' ' VAL . 42.6 mt -55.57 -62.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 50.13 111.136 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -41.96 73.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 74.2 110.862 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.773 ' HA ' HD12 ' A' ' 56' ' ' LEU . 1.9 t80 -54.76 -38.94 67.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.918 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.653 ' OG ' HD22 ' A' ' 108' ' ' LEU . 25.1 p -66.48 -64.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.834 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' N ' ' OG ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -60.16 -17.23 39.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 63.41 110.885 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.2 mt -53.48 -80.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.875 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.69 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.8 OUTLIER -93.45 170.08 9.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.537 0.684 . . . . 64.54 110.906 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 59' ' ' ASP . 53.6 Cg_endo -69.77 -154.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 64.13 112.311 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.7 OUTLIER -27.37 -56.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 44.25 110.897 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 59' ' ' ASP . 11.0 p -33.0 -76.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.878 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.69 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 16.4 m170 -61.21 -36.12 79.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 71.45 110.909 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.9 mmtp -50.39 -67.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.897 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.602 ' HG ' HD11 ' A' ' 24' ' ' ILE . 18.6 tp -53.44 -60.05 3.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 64.34 110.872 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.484 ' HA2' HD13 ' A' ' 24' ' ' ILE . . . -46.8 -52.71 11.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.493 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.8 p -54.57 -53.27 56.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.935 0.398 . . . . 73.3 110.836 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.506 HD12 HG12 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -44.6 -52.25 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 73.3 110.931 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.538 ' CD2' HD12 ' A' ' 24' ' ' ILE . 3.0 m-30 -57.04 -49.12 76.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 70.21 110.945 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.669 HD11 ' CD2' ' A' ' 17' ' ' PHE . 31.7 mt -57.41 -56.14 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 71.03 111.147 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mt -55.61 -36.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.13 111.125 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -56.21 24.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.842 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -55.86 -56.23 23.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.854 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.4 ' HA ' HG23 ' A' ' 33' ' ' THR . 67.4 mt -54.47 -48.08 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 73.04 111.121 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.62 -55.47 24.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 44.1 112.469 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.544 ' HD2' HD23 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -50.68 -56.49 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 70.53 110.887 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.825 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -57.06 -59.75 4.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.21 111.12 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.693 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.4 m-30 -47.02 -48.71 21.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 60.3 110.926 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.476 ' HA ' HD11 ' A' ' 98' ' ' ILE . 36.9 tp -53.52 -61.23 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 72.32 110.926 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -39.68 68.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 61.42 110.848 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.629 ' HG3' HD23 ' A' ' 37' ' ' LEU . 10.6 mm-40 -55.63 -72.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 72.04 110.849 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 76' ' ' TYR . 3.4 t -55.66 -42.73 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 71.1 111.119 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -54.31 -37.27 64.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 62.41 110.847 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.79 -30.43 23.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.868 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -114.42 -74.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 63.14 110.926 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -175.5 137.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.832 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -82.38 -177.45 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 55.01 110.894 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -146.71 144.7 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.832 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -110.23 65.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 74.24 110.837 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 p -105.22 152.35 22.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.45 110.866 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.7 p30 -98.24 35.72 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 71.51 110.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -154.81 160.56 30.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.536 0.684 . . . . 63.23 110.933 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 145.99 58.68 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.739 2.293 . . . . 74.22 112.344 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.23 -52.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 73.43 112.471 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.689 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -156.9 -173.92 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.33 . . . . 73.03 111.133 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 62.7 m -41.8 -42.29 2.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 65.12 110.918 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -41.98 -69.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 72.13 111.123 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.476 ' HA ' HD22 ' A' ' 99' ' ' ASN . 22.0 t-80 -53.93 -37.95 64.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 70.34 110.848 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.73 -57.41 12.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 42.14 111.077 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.476 HD11 ' HA ' ' A' ' 77' ' ' LEU . 91.9 mt -55.15 -60.88 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 52.44 111.135 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.476 HD22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -52.05 -46.23 65.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 71.13 110.895 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 m -54.41 -57.52 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.54 111.094 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.835 HD11 HD12 ' A' ' 47' ' ' ILE . 5.8 mt -51.91 -54.65 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 63.22 110.971 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.99 -16.07 31.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 73.12 112.474 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.571 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -90.91 -10.43 42.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 74.34 110.886 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.571 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.5 m -122.77 -14.78 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 72.2 111.133 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.836 HG13 HD12 ' A' ' 109' ' ' LEU . 3.2 tp -49.6 -29.55 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 73.54 111.131 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.413 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -51.18 -70.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.923 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -56.24 -40.58 74.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 61.02 110.88 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.653 HD22 ' OG ' ' A' ' 54' ' ' SER . 28.6 mt -56.6 -72.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 70.53 110.9 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.836 HD12 HG13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -50.28 -67.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 73.0 110.91 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' LEU . 91.9 p -36.32 -57.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 53.31 110.879 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.58 -51.85 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 71.12 110.906 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.76 -57.65 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 62.54 111.099 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.522 HG22 HD11 ' A' ' 154' ' ' LEU . 2.1 mt -51.15 -56.93 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.43 111.102 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.459 ' HB2' HD12 ' A' ' 154' ' ' LEU . . . -57.95 -66.93 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 70.35 111.098 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -49.73 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 63.14 110.937 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.437 ' HB3' ' CB ' ' A' ' 120' ' ' HIS . 5.6 m -60.92 161.7 7.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 61.24 110.907 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.458 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -100.57 -175.72 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 72.21 110.877 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.622 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 11.0 tt0 -42.87 -52.19 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.31 110.919 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -62.33 -71.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.35 110.864 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.458 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 11.4 m170 -46.17 -59.18 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.823 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.0 OUTLIER -45.61 -38.74 6.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.86 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.06 -44.41 97.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.871 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -57.55 -48.01 80.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 64.13 110.876 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.506 HG12 HD12 ' A' ' 66' ' ' LEU . 19.9 mt -57.43 -49.47 80.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.52 111.137 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -55.2 16.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.871 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -48.25 75.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 62.43 110.878 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.499 HD21 ' CZ2' ' A' ' 131' ' ' TRP . 46.1 tp -53.19 -46.45 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 72.4 110.901 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.441 ' CD1' HG21 ' A' ' 145' ' ' ILE . 1.2 tt -56.31 -49.2 74.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 55.33 110.902 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -52.53 -49.41 64.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 62.43 110.901 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 74.2 mt -57.93 -41.48 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.04 111.077 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.499 ' CZ2' HD21 ' A' ' 127' ' ' LEU . 43.5 m0 -54.39 -57.3 11.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 74.05 110.915 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -55.54 -55.65 29.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 54.24 110.875 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -55.73 -71.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.25 110.887 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 74.5 m -55.52 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 65.02 110.856 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 160.37 118.41 0.49 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.738 . . . . 65.42 112.468 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.573 HD12 ' CD2' ' A' ' 137' ' ' PHE . 0.1 OUTLIER -153.08 -67.3 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.817 0.342 . . . . 73.43 110.901 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.573 ' CD2' HD12 ' A' ' 136' ' ' LEU . 48.0 m-85 -126.08 -175.96 3.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 73.2 110.888 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -55.4 140.98 38.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 71.11 110.872 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -63.12 91.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.908 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.8 p 46.71 36.65 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.861 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.499 ' N ' HD13 ' A' ' 142' ' ' LEU . 1.2 t80 -94.7 20.47 8.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 75.35 110.983 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.842 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -126.29 120.51 30.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 75.51 110.911 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.437 ' O ' ' O ' ' A' ' 144' ' ' ALA . 1.3 p-10 -53.03 -22.73 6.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 71.55 110.921 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -40.03 -95.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.14 111.076 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.619 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -69.57 -22.77 25.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 70.11 111.189 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.66 -53.62 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 60.41 110.901 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.5 p -62.1 98.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.865 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -47.22 -28.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 73.41 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . . . . . . . . . 3.3 m -48.64 -29.54 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 70.05 110.86 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.647 ' O ' ' HB3' ' A' ' 154' ' ' LEU . 3.6 m-30 -57.33 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.9 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 1.012 ' HA ' HD22 ' A' ' 154' ' ' LEU . . . -41.14 -36.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 53.24 111.125 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.401 ' O ' ' HG3' ' A' ' 155' ' ' GLU . 13.4 mtt -61.34 -70.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 62.04 110.884 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -65.97 -50.68 63.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 75.44 110.873 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.012 HD22 ' HA ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -46.87 -27.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.892 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.941 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -90.88 28.77 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.886 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -51.99 117.55 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.85 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -165.33 175.77 8.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 62.34 110.811 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -125.34 84.55 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.88 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -175.0 166.18 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 61.3 110.919 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 25.2 t60 55.09 36.4 26.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.04 110.872 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 30.9 m80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.15 110.865 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 16.8 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.854 0.359 . . . . 65.31 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.85 -37.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 64.35 110.868 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.59 -74.84 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.864 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.26 95.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.882 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.0 99.33 7.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 73.12 110.895 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 161.23 73.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.729 . . . . 52.12 112.482 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 9.4 t80 -110.87 137.77 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 62.24 110.935 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -114.65 136.99 22.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.683 0.754 . . . . 52.21 110.842 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.1 26.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 63.42 112.345 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -12.75 61.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 73.15 110.954 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 7.5 p -130.85 142.41 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 65.23 111.168 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.962 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tpt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.731 0.301 . . . . 63.4 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -140.05 -177.24 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 72.14 110.88 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.1 -25.07 68.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 61.35 110.903 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -62.37 136.32 57.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 53.43 110.824 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 64.83 51.25 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 75.44 110.876 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.511 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.8 OUTLIER -90.83 -160.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.852 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.461 ' CE2' HG23 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -57.5 -14.53 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.25 110.865 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -53.04 -69.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 65.42 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 6' ' ' ASP . 7.4 p30 -52.91 -48.06 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.905 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.775 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 46.7 t80 -53.63 -69.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.872 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.461 HG23 ' CE2' ' A' ' 7' ' ' PHE . 1.2 t -52.15 -42.99 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 73.13 111.104 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -54.68 -48.51 72.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 63.45 111.106 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 28' ' ' ARG . 95.5 m -58.04 -52.84 63.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.42 111.102 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.418 HD23 ' HG ' ' A' ' 49' ' ' LEU . 14.7 tp -56.51 -52.94 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 55.23 110.924 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -49.84 -59.24 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 54.13 110.882 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.5 t -55.32 -31.98 62.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.87 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.13 -64.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 74.41 110.832 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -55.11 -36.19 65.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 53.44 110.886 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -56.45 -24.41 45.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.858 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.45 166.29 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.932 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.99 62.31 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 63.52 110.862 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.73 35.59 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.844 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.19 -50.46 3.86 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 71.42 112.452 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.484 HD13 ' HG ' ' A' ' 63' ' ' LEU . 7.3 mt 58.46 83.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 63.52 111.146 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.73 122.99 31.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.913 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.2 -42.01 54.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 62.05 112.529 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -51.29 -48.44 62.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 52.45 110.824 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 13' ' ' THR . 6.2 mpt_? -52.89 -60.33 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.919 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.485 ' HA ' HD12 ' A' ' 32' ' ' LEU . 93.1 mt -49.28 -44.19 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.21 111.116 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.651 ' O ' HG22 ' A' ' 34' ' ' THR . 24.9 mtpt -55.67 -53.31 58.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 64.13 110.931 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -51.73 -49.05 63.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 71.32 110.914 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD23 ' CD1' ' A' ' 10' ' ' PHE . 6.5 mt -57.37 -50.9 71.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 42.01 110.923 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.402 ' HA ' HG12 ' A' ' 72' ' ' ILE . 20.7 m -57.75 -72.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.473 . . . . 60.45 111.178 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.5 t -41.48 -44.81 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 71.33 111.144 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.463 ' N ' HG23 ' A' ' 34' ' ' THR . 25.0 t80 -58.08 -56.74 18.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.447 . . . . 74.12 110.884 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.695 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -48.38 -57.24 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 64.0 111.09 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.711 HD21 ' HB1' ' A' ' 75' ' ' ALA . 2.2 mp -57.55 -46.09 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 71.34 110.866 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.92 -27.41 52.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 62.03 110.869 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.627 ' CB ' HD11 ' A' ' 42' ' ' ILE . 20.2 m-70 -130.11 83.66 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 63.52 110.881 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.605 HG22 HG22 ' A' ' 93' ' ' THR . 18.4 mm -77.38 -1.46 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 72.44 111.125 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -90.44 18.88 5.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 62.35 110.894 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.627 HD11 ' CB ' ' A' ' 39' ' ' HIS . 2.1 pt -147.63 31.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 31.32 111.14 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.62 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 0.6 OUTLIER -58.74 -35.43 72.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 75.1 110.921 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.6 t -58.74 -72.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 62.02 110.814 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.43 -46.81 26.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 53.21 110.881 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.775 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 82.5 mt -56.41 -69.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 75.52 111.089 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.565 HD12 ' CD1' ' A' ' 101' ' ' LEU . 37.7 mm -47.69 -47.76 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 73.42 111.141 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -58.09 -40.73 81.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.809 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' CE2' ' A' ' 10' ' ' PHE . 17.1 tp -58.61 -66.28 0.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 72.04 110.929 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.8 pt -46.66 -45.31 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.02 111.153 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt -55.62 -59.33 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 64.14 111.121 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -49.92 74.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.859 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.545 ' HA ' HD12 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -50.49 -36.8 35.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 65.42 110.919 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.664 ' OG ' HD22 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -63.82 -74.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 72.54 110.878 -179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.97 -33.0 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 70.35 110.85 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 53' ' ' TYR . 21.4 mt -57.22 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.921 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -57.31 142.6 75.57 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 72.22 110.915 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -99.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 74.42 112.314 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 60' ' ' SER . 2.1 p-10 -68.33 -54.13 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 73.53 110.875 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -37.64 -50.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.855 -179.784 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -58.47 -52.79 64.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 74.22 110.845 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.536 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 7.6 mtmp? -34.89 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.87 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.484 ' HG ' HD13 ' A' ' 24' ' ' ILE . 9.2 tp -60.9 -56.75 17.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 45.44 110.888 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' SER . . . -48.35 -75.28 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 70.3 112.505 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 64' ' ' GLY . 15.2 t -36.56 -62.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 74.2 110.862 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.768 ' CD2' HD23 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -39.19 -53.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 73.41 110.957 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.478 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 7.6 m-30 -58.07 -48.58 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.904 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 89.8 mt -56.47 -56.12 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 72.15 111.166 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mp -55.87 -36.2 42.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 64.15 111.095 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -56.69 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 54.11 110.859 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 p -56.36 -61.29 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.846 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' A' ' 33' ' ' THR . 64.5 mt -53.12 -42.98 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 75.24 111.176 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.63 -58.99 10.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 72.02 112.482 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -52.15 -54.04 35.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.329 . . . . 74.05 110.844 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.711 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -55.5 -61.28 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.11 111.088 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.695 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.6 m-30 -50.23 -46.61 54.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.932 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.637 HD22 ' HA ' ' A' ' 136' ' ' LEU . 15.5 tp -52.48 -54.07 37.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 71.23 110.905 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -42.82 74.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 63.24 110.867 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.32 -72.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 72.01 110.888 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.65 HG21 HD12 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -53.22 -37.36 61.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 73.42 111.146 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -55.48 -45.74 76.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.908 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -51.22 -67.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.01 110.854 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -72.55 -75.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 64.41 110.908 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 p -179.68 168.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.816 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -102.2 -170.75 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 74.24 110.894 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -143.56 -170.63 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 63.41 110.892 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -82.55 -170.24 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 54.11 110.859 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.5 p -114.64 50.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 63.52 110.85 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -120.7 97.35 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 73.45 110.821 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.82 160.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 74.43 110.878 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 54.1 Cg_endo -69.75 176.13 7.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 75.12 112.341 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 93' ' ' THR . . . 175.01 -45.3 0.13 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 73.32 112.449 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.605 HG22 HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -164.45 -174.64 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.736 0.303 . . . . 43.45 111.154 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.6 p -41.19 -48.01 3.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 75.33 110.896 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.05 -67.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 62.22 111.074 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 91' ' ' PRO . 44.9 m80 -51.51 -36.23 43.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.872 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.62 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -55.46 -60.71 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 72.32 111.111 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.65 HD12 HG21 ' A' ' 80' ' ' THR . 58.5 mt -53.81 -45.73 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.45 111.119 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -56.07 -53.02 62.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.835 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.8 m -54.57 -53.81 49.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.42 111.134 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.565 ' CD1' HD12 ' A' ' 47' ' ' ILE . 35.4 mt -50.83 -57.15 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 64.21 110.96 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.24 -15.56 23.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 65.45 112.501 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.574 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -88.71 -11.47 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 73.21 110.914 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.574 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.1 m -122.67 -16.37 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 62.41 111.122 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.738 HG13 HD12 ' A' ' 109' ' ' LEU . 2.0 tp -48.9 -30.35 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 71.45 111.147 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.409 ' HA ' ' CB ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -47.43 -70.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.944 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -54.7 -40.67 69.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 63.5 110.905 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.664 HD22 ' OG ' ' A' ' 54' ' ' SER . 34.1 mt -55.72 -75.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.958 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.957 HD13 HD12 ' A' ' 145' ' ' ILE . 0.3 OUTLIER -53.04 -61.81 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.898 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' LEU . 46.1 t -36.32 -69.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 40.01 110.88 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.88 -44.46 29.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 65.1 110.884 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.463 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . . . -55.45 -56.31 21.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 62.41 111.113 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.628 ' HB ' HD11 ' A' ' 154' ' ' LEU . 2.2 mt -55.24 -45.21 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.12 111.132 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.01 -68.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.094 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -48.62 64.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 120' ' ' HIS . 88.8 p -51.86 142.64 14.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 64.32 110.861 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 121' ' ' LYS . 1.2 p-10 -93.76 -176.33 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 65.24 110.898 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.624 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 75.0 mt-30 -39.97 -54.0 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 74.41 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -70.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.831 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 116' ' ' SER . 13.7 m-70 -46.52 -59.58 2.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.848 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.78 -38.15 6.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 70.34 110.911 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.43 -45.35 94.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.875 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -57.64 -50.68 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 72.52 110.864 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.679 HG12 HD13 ' A' ' 66' ' ' LEU . 72.6 mt -56.18 -53.1 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 63.13 111.169 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.47 -52.54 21.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.841 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.98 -46.3 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.87 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.768 HD23 ' CD2' ' A' ' 66' ' ' LEU . 18.7 tp -55.29 -48.01 74.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.33 110.885 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.585 HD21 ' HB ' ' A' ' 145' ' ' ILE . 3.2 tp -55.85 -51.72 66.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 75.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -51.12 -48.16 61.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 72.22 110.847 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.8 mt -56.92 -43.47 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 61.32 111.154 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.657 ' CG ' HD23 ' A' ' 136' ' ' LEU . 49.5 m0 -55.16 -60.68 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 65.04 110.882 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.26 -54.75 41.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 62.31 110.88 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -51.08 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.906 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.7 t -50.61 -60.61 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 64.23 110.857 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 135.86 70.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 54.52 112.513 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.657 HD23 ' CG ' ' A' ' 131' ' ' TRP . 60.9 tp -120.98 139.01 53.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 74.04 110.953 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.499 ' CE1' HG23 ' A' ' 98' ' ' ILE . 3.3 m-85 50.86 46.84 25.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.871 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -93.05 18.42 9.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 72.2 110.926 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.76 -9.78 24.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 73.52 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.6 96.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.849 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.715 ' C ' HD13 ' A' ' 142' ' ' LEU . 50.9 p90 -56.84 -177.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 53.34 110.906 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.773 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -146.86 130.87 17.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 74.23 110.892 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.447 ' HA ' ' HB3' ' A' ' 146' ' ' ARG . 7.2 t-20 -58.06 -20.13 36.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 74.03 110.883 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -41.71 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 33.4 111.072 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.957 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -67.64 -24.34 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.02 111.13 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.447 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 5.8 ttt180 -43.43 -50.78 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.896 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.46 92.97 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 61.4 110.873 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 152' ' ' MET . 25.2 mmtm -43.98 -33.43 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.918 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 153' ' ' ASP . 34.7 m -40.54 -38.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 70.21 110.873 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' A' ' 154' ' ' LEU . 16.9 m-85 -58.25 -81.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.9 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.695 ' HA ' HD22 ' A' ' 154' ' ' LEU . . . -29.12 -60.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 73.45 111.165 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.556 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 1.3 ptm -60.46 -62.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 51.33 110.873 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 149' ' ' CYS . 12.4 t70 -62.01 -68.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 65.41 110.851 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.933 HD23 ' N ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -38.78 -35.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 70.24 110.914 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.933 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -49.62 -59.72 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.01 110.89 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -99.19 175.84 5.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 75.53 110.885 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -57.33 177.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 71.3 110.897 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -95.17 39.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 63.33 110.872 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -123.95 50.23 1.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -75.28 -179.66 4.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.14 110.87 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 55.13 110.852 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 54.44 110.844 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -124.8 80.45 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 74.32 110.865 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 36.1 t0 -151.64 54.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 70.15 110.862 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 69.16 -75.34 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 62.3 110.869 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.11 166.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 72.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 60.65 67.64 2.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 71.12 112.481 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . . . . . . . . . 34.0 t80 -61.63 134.94 57.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 71.22 110.912 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . 0.407 ' HA ' ' HD2' ' B' 1009 ' ' PRO . 51.3 t-20 -106.58 94.24 9.8 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.659 0.742 . . . . 72.41 110.872 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' B' 1008 ' ' ASN . 53.6 Cg_endo -69.81 -8.66 24.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 63.13 112.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -35.05 69.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.921 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 18.5 p -146.77 121.74 10.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 73.23 111.116 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 64.31 110.934 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 ptt? . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.753 0.311 . . . . 71.01 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -116.89 -35.43 4.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 73.32 110.924 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.55 -37.22 9.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.882 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -68.21 -19.09 64.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.875 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -108.45 43.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 64.35 110.836 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -90.73 -162.57 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.906 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' CE2' HG23 ' A' ' 11' ' ' VAL . 3.9 t80 -48.12 -26.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.88 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.61 -56.94 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.907 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.01 -52.38 58.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 71.1 110.882 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.755 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 45.8 t80 -55.38 -70.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.883 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.449 HG23 ' CE2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -47.6 -44.05 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 73.24 111.131 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -52.22 -51.02 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 41.44 111.114 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.569 HG21 ' O ' ' A' ' 28' ' ' ARG . 29.7 m -57.09 -52.55 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 52.11 111.15 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 14' ' ' LEU . 12.4 tp -56.0 -52.62 63.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 75.45 110.94 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -49.92 -55.78 13.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.954 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -57.08 -30.87 64.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 74.51 110.832 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.443 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.52 -62.29 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.844 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -57.5 -37.71 73.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.937 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.54 -24.78 34.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 63.15 110.86 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 17' ' ' PHE . 19.4 mt -57.02 179.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.926 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -91.15 -23.04 20.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 74.15 110.895 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.7 t -117.6 -53.27 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 62.02 110.903 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.519 ' C ' HD12 ' A' ' 24' ' ' ILE . . . 113.03 35.44 1.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 54.42 112.509 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.519 HD12 ' C ' ' A' ' 23' ' ' GLY . 4.9 mp -146.34 137.81 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 62.11 111.161 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.99 119.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 53.2 110.832 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.36 -50.0 61.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 73.43 112.466 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -47.02 -57.03 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 63.2 110.865 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.569 ' O ' HG21 ' A' ' 13' ' ' THR . 4.8 mpt_? -51.63 -59.28 4.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 70.03 110.891 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.9 mt -48.86 -43.38 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.633 ' O ' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -56.18 -56.5 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.88 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -50.86 -49.26 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.883 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 10' ' ' PHE . 13.7 mt -57.52 -52.7 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 54.31 110.945 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.405 ' HA ' HG12 ' A' ' 72' ' ' ILE . 5.1 m -57.46 -71.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 74.13 111.143 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 30' ' ' LYS . 8.9 t -41.44 -44.54 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 71.31 111.124 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.489 ' N ' HG23 ' A' ' 34' ' ' THR . 19.1 t80 -59.46 -55.75 30.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 71.15 110.911 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.651 ' HB1' ' OH ' ' A' ' 76' ' ' TYR . . . -48.03 -57.41 5.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 52.03 111.109 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.846 HD21 ' HB1' ' A' ' 75' ' ' ALA . 3.2 mp -57.15 -48.88 77.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 63.33 110.888 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.82 -23.62 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 64.21 110.911 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.613 ' CB ' HD11 ' A' ' 42' ' ' ILE . 10.5 m-70 -133.11 84.5 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 73.2 110.829 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.625 ' CG2' HG22 ' A' ' 93' ' ' THR . 22.1 mm -78.04 -2.34 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 72.42 111.136 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -88.78 24.36 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.845 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.654 HG22 ' CE ' ' A' ' 45' ' ' LYS . 1.3 pt -151.5 27.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 71.34 111.14 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 97' ' ' ALA . 1.6 pm0 -56.59 -36.22 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.894 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.416 ' HB2' ' HB2' ' A' ' 91' ' ' PRO . 20.9 t -59.16 -74.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 71.34 110.857 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.654 ' CE ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -46.33 -46.31 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 72.22 110.887 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.755 HG23 ' CZ ' ' A' ' 10' ' ' PHE . 87.1 mt -55.86 -73.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 72.14 111.103 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.019 HD12 HD11 ' A' ' 101' ' ' LEU . 41.9 mm -47.2 -48.02 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 45.24 111.107 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -56.79 -44.19 81.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 61.44 110.858 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD23 ' CE2' ' A' ' 10' ' ' PHE . 15.7 tp -57.47 -68.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 74.03 110.909 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 47' ' ' ILE . 6.4 pt -45.5 -46.39 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 54.31 111.095 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.535 HD13 HG21 ' A' ' 104' ' ' VAL . 47.5 mt -55.45 -59.14 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 73.1 111.115 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.59 -48.24 75.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.885 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.719 ' HA ' HD12 ' A' ' 56' ' ' LEU . 2.6 t80 -51.37 -39.28 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 63.43 110.92 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.4 t -64.89 -70.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 74.43 110.839 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -20.94 25.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 63.31 110.904 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 53' ' ' TYR . 5.2 mt -51.96 -79.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.686 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -87.87 169.83 13.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 50.13 110.866 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HD2' ' CB ' ' A' ' 57' ' ' CYS . 53.2 Cg_endo -69.81 -158.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 75.51 112.326 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -30.67 -52.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 61.12 110.881 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 59' ' ' ASP . 13.2 p -32.32 -77.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.849 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.686 ' CG ' ' HB2' ' A' ' 57' ' ' CYS . 1.8 m80 -61.77 -40.51 95.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.52 110.859 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 59' ' ' ASP . 2.6 mmtt -42.17 -62.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 62.42 110.937 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 67' ' ' TYR . 15.0 tp -59.21 -55.76 30.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 72.02 110.889 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.26 -64.46 3.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 61.55 112.554 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -44.53 36.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 71.34 110.874 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.586 HD22 ' CD2' ' A' ' 127' ' ' LEU . 0.5 OUTLIER -48.1 -55.37 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 72.43 110.915 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.564 ' CZ ' HD11 ' A' ' 63' ' ' LEU . 14.6 m-85 -55.75 -45.95 77.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.906 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.97 -51.19 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 74.4 111.117 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.592 HG23 HD22 ' A' ' 101' ' ' LEU . 14.0 mt -57.53 -37.78 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.146 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.39 -55.36 34.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 62.34 110.858 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.7 p -56.65 -57.97 10.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.881 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.405 HG12 ' HA ' ' A' ' 33' ' ' THR . 61.6 mt -54.58 -44.18 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 74.25 111.14 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.57 -62.32 6.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 63.21 112.466 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.809 ' HD3' HD22 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -48.86 -53.47 19.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 63.15 110.89 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.846 ' HB1' HD21 ' A' ' 37' ' ' LEU . . . -56.19 -59.77 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 62.51 111.113 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.651 ' OH ' ' HB1' ' A' ' 36' ' ' ALA . 2.6 m-30 -49.71 -46.74 50.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 72.31 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.587 HD22 HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -53.21 -63.87 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 70.03 110.954 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -38.79 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 63.14 110.883 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.638 ' HG3' HD23 ' A' ' 37' ' ' LEU . 8.2 mm-40 -55.27 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 71.23 110.919 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 76' ' ' TYR . 2.7 t -52.37 -45.63 65.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 73.41 111.129 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.578 ' CD ' HD12 ' A' ' 77' ' ' LEU . 38.5 mtm180 -50.99 -39.47 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 70.01 110.84 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -52.37 -29.88 26.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 50.03 110.836 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -113.73 -76.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 74.34 110.9 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 m -164.87 122.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.919 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -115.94 159.73 21.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 73.04 110.903 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.86 178.28 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 65.04 110.848 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.1 m -94.78 47.48 1.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 72.24 110.865 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -51.48 119.95 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 74.35 110.85 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 39.0 p-10 -51.06 144.2 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt 64.27 154.04 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.712 . . . . 74.24 110.901 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 44' ' ' SER . 54.3 Cg_endo -69.73 161.71 44.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 75.32 112.376 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.88 -38.84 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 42.33 112.457 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.625 HG22 ' CG2' ' A' ' 40' ' ' ILE . 0.7 OUTLIER -156.28 -175.36 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 72.44 111.117 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.441 ' SG ' HD12 ' A' ' 40' ' ' ILE . 82.0 m -47.62 -36.26 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.884 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.92 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 73.31 111.113 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -53.52 -34.79 59.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 50.54 110.877 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . . . -56.66 -56.42 21.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.23 111.111 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.587 HD13 HD22 ' A' ' 77' ' ' LEU . 54.4 mt -57.33 -55.88 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 72.35 111.152 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -43.53 73.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.1 110.888 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.2 m -56.38 -55.14 37.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 73.24 111.127 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.019 HD11 HD12 ' A' ' 47' ' ' ILE . 3.1 mt -54.74 -53.33 56.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 63.22 110.899 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.11 -15.94 31.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 44.21 112.484 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.62 ' HG2' HG13 ' A' ' 104' ' ' VAL . 0.5 OUTLIER -92.48 -8.82 43.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 72.51 110.906 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.62 HG13 ' HG2' ' A' ' 103' ' ' GLU . 3.9 m -124.45 -14.81 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 64.13 111.107 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.829 HG13 HD12 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -50.82 -30.56 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 64.33 111.098 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.461 ' HA ' ' HB1' ' A' ' 144' ' ' ALA . 0.2 OUTLIER -47.55 -74.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.926 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.05 -37.02 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.886 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 mt -55.89 -74.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 61.51 110.925 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.862 HD13 HD12 ' A' ' 145' ' ' ILE . 0.2 OUTLIER -51.5 -64.62 0.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.912 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 109' ' ' LEU . 89.9 p -36.37 -63.75 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 74.2 110.834 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -50.48 -48.65 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.855 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.59 -56.59 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 51.13 111.095 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.769 HG22 HD11 ' A' ' 154' ' ' LEU . 4.1 mt -54.33 -52.41 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 52.32 111.131 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.525 ' N ' HD12 ' A' ' 154' ' ' LEU . . . -56.79 -68.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 42.25 111.09 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.7 -50.09 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.907 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' A' ' 120' ' ' HIS . 4.2 m -54.17 158.36 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 72.52 110.895 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.492 ' ND2' ' H ' ' A' ' 120' ' ' HIS . 0.4 OUTLIER -97.72 -175.02 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 50.23 110.908 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.619 ' O ' ' HG3' ' A' ' 121' ' ' LYS . 49.0 tt0 -44.31 -51.62 8.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.911 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -62.69 -69.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 64.13 110.872 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.492 ' H ' ' ND2' ' A' ' 117' ' ' ASN . 15.7 m170 -47.3 -59.18 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.31 110.822 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 118' ' ' GLN . 0.1 OUTLIER -45.88 -38.84 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.926 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 121' ' ' LYS . 0.0 OUTLIER -61.3 -44.37 97.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 60.53 110.841 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -57.07 -48.81 77.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.931 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.578 HG21 HG12 ' A' ' 113' ' ' ILE . 69.3 mt -57.43 -50.16 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 54.45 111.091 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -52.66 39.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.857 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -46.55 81.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 73.01 110.884 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.791 HD12 ' HG3' ' B' 1009 ' ' PRO . 15.8 tp -50.29 -51.97 40.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.949 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.653 HD11 ' CG1' ' A' ' 145' ' ' ILE . 0.2 OUTLIER -56.77 -48.26 78.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 55.01 110.954 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.08 -51.89 39.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.858 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.407 HG21 ' HG2' ' B' 1009 ' ' PRO . 61.9 mt -58.53 -41.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 70.22 111.098 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.781 ' CD1' HD23 ' A' ' 136' ' ' LEU . 38.7 m0 -50.69 -61.05 2.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 72.15 110.943 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -55.93 -52.46 64.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 61.32 110.833 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -53.29 -70.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.876 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.1 t -56.42 -77.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 25.31 110.832 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 152.39 96.42 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 64.44 112.47 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.809 HD22 ' HD3' ' A' ' 74' ' ' ARG . 11.5 tp -156.07 135.15 12.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.362 . . . . 71.24 110.902 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.615 ' N ' HD12 ' A' ' 136' ' ' LEU . 11.5 m-85 57.93 38.86 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.838 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.07 53.17 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.901 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -99.96 68.94 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 55.12 110.903 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 67.55 12.24 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 61.02 110.823 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.477 ' C ' HD13 ' A' ' 142' ' ' LEU . 74.1 m-85 61.08 167.75 0.09 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 63.35 110.913 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.866 ' N ' HD13 ' A' ' 142' ' ' LEU . 0.0 OUTLIER -128.4 126.68 41.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 52.22 110.897 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.471 ' O ' ' O ' ' A' ' 144' ' ' ALA . 0.7 OUTLIER -55.1 -25.5 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 63.43 110.874 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 143' ' ' ASN . . . -34.72 -96.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 60.14 111.062 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.862 HD12 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -71.15 -25.08 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 73.52 111.152 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.461 ' HB3' ' HA ' ' A' ' 143' ' ' ASN . 9.1 ttt180 -36.53 -45.15 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 64.45 110.84 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.9 t -84.83 108.1 17.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 71.11 110.882 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -50.01 -16.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 73.1 110.909 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' CYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 153' ' ' ASP . 26.5 p -41.5 -37.31 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.902 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.658 ' CD1' ' N ' ' A' ' 151' ' ' ALA . 10.9 p90 -60.01 -53.47 57.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.853 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.658 ' N ' ' CD1' ' A' ' 150' ' ' PHE . . . -58.52 -60.9 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 74.1 111.094 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.585 ' O ' ' HB2' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -56.08 -45.5 79.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 72.24 110.842 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 149' ' ' CYS . 28.3 t0 -65.45 -67.42 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 44.4 110.892 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.969 HD23 ' N ' ' A' ' 155' ' ' GLU . 0.1 OUTLIER -59.87 -9.91 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.969 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.969 ' N ' HD23 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.32 95.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.872 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -65.13 169.62 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 64.33 110.885 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -97.94 51.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.864 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -101.99 59.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.868 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 26.8 m170 51.83 79.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.89 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -119.24 -33.86 4.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 64.22 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.874 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B 1001 ' ' ASP . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.807 0.337 . . . . 73.15 110.855 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B 1002 ' ' ASP . . . . . . . . . . . . . 39.8 t0 -78.12 65.36 3.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 64.32 110.871 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1003 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.07 -171.1 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.892 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1004 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -110.16 -46.65 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.844 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1005 ' ' ASP . . . . . . . . . . . . . 28.3 m-20 52.45 -171.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 70.12 110.902 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1006 ' ' GLY . . . . . . . . . . . . . . . 55.36 80.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 45.04 112.496 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1007 ' ' TYR . . . . . 0.403 ' HH ' HH12 ' A' ' 74' ' ' ARG . 13.7 t80 -110.79 143.7 40.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.906 0.384 . . . . 74.41 110.927 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1008 ' ' ASN . . . . . . . . . . . . . 4.8 p30 -134.2 153.96 79.78 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 62.31 110.89 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1009 ' ' PRO . . . . . 0.791 ' HG3' HD12 ' A' ' 127' ' ' LEU . 53.8 Cg_endo -69.74 -13.43 34.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 61.11 112.369 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1010 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -16.83 63.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.918 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1011 ' ' THR . . . . . . . . . . . . . 2.8 p -85.05 -175.22 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 71.44 111.171 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1012 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 74.52 110.929 179.966 . . . . . . . . 1 1 . 1 stop_ save_